SCHEMBL22191546

SCHEMBL22191546

COc1ccc(NCc2cncc(-c3ccc4[nH]c(=O)[nH]c4c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CLK2 P49760 1/20 0.45
▸ CYP11B1 P15538 4/20 0.45
▸ CYP11B2 P19099 4/20 0.45
▸ PDE10A Q9Y233 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 2/20 0.43

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
SCHEMBL22191159 0.89 KDM4E (0.47) GAAKDM4EMAPTALDH1A1MAPK1
SCHEMBL22191381 0.88 GAA (0.47) GAAKDM4EMAPTALDH1A1CYP11B1
SCHEMBL22191810 0.85 THRB (0.53) GAAMAPTLMNAKMT2AMEN1
SCHEMBL22191419 0.85 MAPT (0.53) GAAMAPTALDH1A1CYP3A4CYP2C9
SCHEMBL22191140 0.85 PDE3B (0.47) GAAKDM4EMAPTALDH1A1CLK2
SCHEMBL22191218 0.82 GAA (0.52) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL22191718 0.81 MAPT (0.47) GAAKDM4EMAPTALDH1A1APAF1
SCHEMBL6917093 0.79 CYP11B1 (0.55) CLK2CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL22191100 0.78 VNN1 (0.51) GAAKDM4EMAPTALDH1A1MAPK1
SCHEMBL22191367 0.78 GAA (0.46) GAAKDM4EMAPTMAPK1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 — — EP disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
EP-3906233-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113508111-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-15 — — CN disclosed
WO-2020142485-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — 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 (1 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-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 GAA 829/4885KDM4E 2309/4885MAPT 1320/4885

“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.

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