SCHEMBL4031318

SCHEMBL4031318

CC(C)c1nc(Cl)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
APP P05067 2/20 0.44
PDE5A O76074 1/20 0.44
ATM Q13315 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
GBA1 P04062 1/20 0.40
GPR3 P46089 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11735484 0.78 NPSR1 (0.46) KDM4EALDH1A1MAOAMAOBAPP
SCHEMBL13578782 0.78 HTT (0.49) KDM4EALDH1A1MAOAMAOBATM
SCHEMBL23870581 0.78 PRNP (0.47) KDM4EALDH1A1HTTNPSR1MAPT
SCHEMBL20855331 0.78 GPR3 (0.54) KDM4EALDH1A1MAOAMAOBAPP
SCHEMBL30277502 0.78 GPR3 (0.54) KDM4EALDH1A1MAOAMAOBAPP
SCHEMBL20110186 0.77 NUDT1 (0.58) KDM4EALDH1A1MAOAAPPRAB9A
SCHEMBL21340325 0.77 TLR7 (0.41) KDM4EALDH1A1MAOAMAOBAPP
SCHEMBL20110180 0.77 GPR3 (0.39) KDM4EALDH1A1MAOAMAOBAPP
SCHEMBL3113119 0.77 MAOA (0.42) KDM4EALDH1A1MAOAMAOBAPP
SCHEMBL639754 0.77 KMT2A (0.44) KDM4EALDH1A1MAOAMAOBAPP

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 17 patents. 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
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 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-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-21 US disclosed
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. 2020-11-12 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
CN-100475793-C Quinazoline derivatives and use for preparing medicine TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-08 CN disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
CN-1795180-A Novel quinazoline derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2006-06-28 CN disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO 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 (10 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 KDM4E 3239/4885ALDH1A1 3834/4885MAOA 4384/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV KDM4E 3281/4885ALDH1A1 3476/4885MAOA 4413/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KDM4E 1012/4885ALDH1A1 2069/4885MAOA 264/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 KDM4E 3239/4885ALDH1A1 3834/4885MAOA 4384/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 KDM4E 3239/4885ALDH1A1 3834/4885MAOA 4384/4885
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 KDM4E 3239/4885ALDH1A1 3834/4885MAOA 4384/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV KDM4E 3281/4885ALDH1A1 3476/4885MAOA 4413/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 KDM4E 3239/4885ALDH1A1 3834/4885MAOA 4384/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 KDM4E 2899/4885ALDH1A1 2861/4885MAOA 4379/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 KDM4E 4191/4885ALDH1A1 3323/4885MAOA 4602/4885

“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.