SCHEMBL2076016

SCHEMBL2076016

COc1cc(Br)ccc1NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.57
MAPT P10636 4/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL31079121 1.00 LPAR1 (0.57) LPAR1MAPTNPC1RAB9APOLB
SCHEMBL14721362 0.86 ALDH1A1 (0.52) MAPTNPC1RAB9APOLBMEN1
SCHEMBL29475122 0.86 LPAR1 (0.57) LPAR1MAPTNPC1RAB9APOLB
SCHEMBL3504431 0.86 LPAR1 (0.57) LPAR1MAPTNPC1RAB9APOLB
SCHEMBL21198563 0.83 LPAR1 (0.61) LPAR1MAPTNPC1RAB9APOLB
SCHEMBL30823737 0.83 LPAR1 (0.61) LPAR1MAPTNPC1RAB9APOLB
SCHEMBL19643985 0.82 LPAR1 (0.60) LPAR1MAPTNPC1RAB9APOLB
SCHEMBL21217705 0.82 HTT (0.72) LPAR1MAPTRAB9AMEN1KMT2A
SCHEMBL31630583 0.82 LPAR1 (0.53) LPAR1MAPTNPC1RAB9APOLB
SCHEMBL1238843 0.81 CYP1A2 (0.54) LPAR1MAPTNPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
EP-1362041-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF Cerep (FR) 2003-11-19 EP disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US disclosed
WO-2002068399-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF CEREP (FR) 2002-09-06 WO disclosed
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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 (3 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 LPAR1 2691/4885MAPT 2077/4885NPC1 1943/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 LPAR1 2691/4885MAPT 2077/4885NPC1 1943/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 LPAR1 4357/4885MAPT 2881/4885NPC1 4833/4885

“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.