SCHEMBL2600744

SCHEMBL2600744

Cc1ccc2ncnc(C(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
IRAK4 Q9NWZ3 6/20 0.47
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.45
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
EGFR P00533 1/20 0.43
PARP1 P09874 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAP4K4 O95819 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21347904 0.85 CHEK1 (0.42) HTTMAPK1KDM4EIRAK4LMNA
SCHEMBL6957590 0.81 IRAK4 (0.47) HTTKDM4EIRAK4LMNASMN1; SMN2
SCHEMBL12141871 0.80 CSF1R (0.48) HTTEGFRPARP1MAP4K4
SCHEMBL20609574 0.80 USP10 (0.45) HTTLMNASMN1; SMN2EGFRPARP1
SCHEMBL30926459 0.80 HTT (0.61) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL26238011 0.80 HTT (0.42) HTTLMNASMN1; SMN2EGFRPARP1
SCHEMBL24139924 0.77 IRAK4 (0.44) HTTKDM4EIRAK4LMNASMN1; SMN2
SCHEMBL21348051 0.77 MAPT (0.54) HTTMAPK1LMNASMN1; SMN2MAPT
SCHEMBL12703930 0.77 EGFR (0.40) HTTMAPK1IRAK4LMNASMN1; SMN2
SCHEMBL21348059 0.76 KDM4E (0.34) HTTMAPK1KDM4EIRAK4LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
WO-2023225119-A1 STABILIZATION OF INTEGRIN INHIBITORS PLIANT THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
WO-2019173653-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2019-09-12 WO disclosed
US-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 US disclosed
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 US disclosed
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2013-05-02 US disclosed
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 US disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 HTT 84/4885MAPK1 2989/4885KDM4E 2674/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HTT 4656/4885MAPK1 808/4885KDM4E 3249/4885
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 HTT 4570/4885MAPK1 1617/4885KDM4E 3239/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV HTT 4359/4885MAPK1 2210/4885KDM4E 3281/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HTT 4656/4885MAPK1 808/4885KDM4E 3249/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 HTT 4570/4885MAPK1 1617/4885KDM4E 3239/4885
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, CYP2D6, TYMS HTT 1971/4885MAPK1 2851/4885KDM4E 3433/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 HTT 4570/4885MAPK1 1617/4885KDM4E 3239/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 HTT 4639/4885MAPK1 1100/4885KDM4E 3124/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 HTT 4411/4885MAPK1 2112/4885KDM4E 2899/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 HTT 4622/4885MAPK1 1668/4885KDM4E 4191/4885
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 HTT 2387/4885MAPK1 3401/4885KDM4E 3906/4885
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF HRH2, HRH1, SULT2A1 HTT 2723/4885MAPK1 3424/4885KDM4E 3773/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 HTT 2387/4885MAPK1 3401/4885KDM4E 3906/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.