SCHEMBL4516387

SCHEMBL4516387

COc1cccc(C(=O)NC2CCN(C)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
TSHR P16473 1/20 0.72
MCHR1 Q99705 4/20 0.64
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CCR3 P51677 1/20 0.61
GRM5 P41594 1/20 0.60
POLB P06746 2/20 0.59
USP2 O75604 1/20 0.59
DRD4 P21917 1/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.55

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
SCHEMBL29363800 1.00 ALDH1A1 (0.72) ALDH1A1TSHRMCHR1LMNASMN1; SMN2
SCHEMBL2468483 0.89 NPC1 (0.71) ALDH1A1TSHRMCHR1LMNASMN1; SMN2
SCHEMBL3702296 0.88 ALDH1A1 (0.61) ALDH1A1TSHRMCHR1LMNASMN1; SMN2
SCHEMBL16222341 0.87 ALDH1A1 (0.56) ALDH1A1TSHRMCHR1LMNASMN1; SMN2
SCHEMBL1667825 0.86 RAB9A (0.73) ALDH1A1TSHRLMNASMN1; SMN2GRM5
SCHEMBL14980323 0.85 ROCK2 (0.56) ALDH1A1TSHRMCHR1LMNASMN1; SMN2
SCHEMBL10212211 0.85 ALDH1A1 (0.64) ALDH1A1TSHRMCHR1LMNASMN1; SMN2
SCHEMBL11241115 0.85 RAB9A (0.75) ALDH1A1TSHRLMNASMN1; SMN2GRM5
SCHEMBL30564259 0.84 ALDH1A1 (0.56) ALDH1A1TSHRMCHR1LMNASMN1; SMN2
SCHEMBL29530983 0.84 ALDH1A1 (0.72) ALDH1A1TSHRMCHR1LMNASMN1; SMN2

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
US-12570645-B2 Uses of p53 x-ray co-crystal structures PMV PHARMACEUTICALS, INC. (US) 2026-03-10 US disclosed
US-20260027097-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS INC (US) 2026-01-29 US disclosed
US-12419880-B2 Companion diagnostic tool for mutant p53 reactivating compounds PMV PHARMACEUTICALS, INC. (US) 2025-09-23 US disclosed
CN-119490507-A Novel kinase inhibitor 首药控股(北京)股份有限公司 2025-02-21 CN disclosed
US-20240269126-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER PMV PHARMACEUTICALS, INC. 2024-08-15 US disclosed
US-11938124-B2 Combination therapy for treatment of cancer PMV PHARMACEUTICALS, INC. (US) 2024-03-26 US disclosed
WO-2023160614-A1 COMPOUND AS FAK INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2023-08-31 WO disclosed
WO-2023036252-A1 PYRROLOPYRIMIDINE OR PYRROLOPYRIDINE DERIVATIVE AND MEDICAL USE THEREOF 希格生科(深圳)有限公司 2023-03-16 WO disclosed
US-20230049952-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-20230044826-A1 COMPANION DIAGNOSTIC TOOL FOR MUTANT P53 REACTIVATING COMPOUNDS PMV PHARMACEUTICALS, INC. 2023-02-09 US disclosed
US-20230033324-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER PMV PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-20230024905-A1 USES OF P53 X-RAY CO-CRYSTAL STRUCTURES PMV PHARMACEUTICALS, INC. 2023-01-26 US disclosed
EP-3828185-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2021-06-02 EP disclosed
EP-2205603-B1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2014-01-15 EP disclosed
WO-2009065570-A1 NON-PEPTIDIC PROMOTERS OF APOPTOSIS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2009-05-28 WO disclosed
EP-2029599-A1 DIHYDROPTERIDINE COMPOUNDS AS ANTI PROLIFERATIVE AGENTS Astra Zeneca AB (SE) 2009-03-04 EP disclosed
WO-2007135374-A1 DIHYDROPTERIDINE COMPOUNDS AS ANTI PROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2007-11-29 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 (9 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-11938124-B2 Combination therapy for treatment of cancer TP53, KRAS, TP53BP1 ALDH1A1 2000/4885TSHR 3698/4885MCHR1 4664/4885
US-20230049952-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION TP53, TP53BP1, KRAS ALDH1A1 1538/4885TSHR 3846/4885MCHR1 4783/4885
US-20230033324-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER TP53, KRAS, TP53BP1 ALDH1A1 2000/4885TSHR 3698/4885MCHR1 4664/4885
US-20230044826-A1 COMPANION DIAGNOSTIC TOOL FOR MUTANT P53 REACTIVATING COMPOUNDS TP53, TP53BP1, KRAS ALDH1A1 1835/4885TSHR 3665/4885MCHR1 4857/4885
US-20260027097-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, BRCA1 ALDH1A1 1944/4885TSHR 2806/4885MCHR1 4548/4885
US-12570645-B2 Uses of p53 x-ray co-crystal structures TP53, TP53BP1, ERCC2 ALDH1A1 3910/4885TSHR 1092/4885MCHR1 4053/4885
US-20240269126-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER TP53, KRAS, TP53BP1 ALDH1A1 2000/4885TSHR 3698/4885MCHR1 4664/4885
US-20230024905-A1 USES OF P53 X-RAY CO-CRYSTAL STRUCTURES TP53, TP53BP1, MDM2 ALDH1A1 3539/4885TSHR 2705/4885MCHR1 4722/4885
US-12419880-B2 Companion diagnostic tool for mutant p53 reactivating compounds TP53, TP53BP1, KRAS ALDH1A1 1835/4885TSHR 3665/4885MCHR1 4857/4885

“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.