SCHEMBL8320072

SCHEMBL8320072

COc1ccc(NC(C)=O)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
GAA P10253 3/20 0.57
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.52
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2095011 0.86 RAB9A (0.57) RAB9ASMN1; SMN2NPC1GAACA1
SCHEMBL2095013 0.86 RAB9A (0.58) RAB9ASMN1; SMN2NPC1GAAPOLB
SCHEMBL21635517 0.86 RAB9A (0.55) RAB9ASMN1; SMN2NPC1GAAHSD17B1
SCHEMBL6073512 0.85 HDAC1 (0.54) RAB9ASMN1; SMN2NPC1GAAHDAC1
SCHEMBL19987533 0.85 RAB9A (0.56) RAB9ASMN1; SMN2NPC1GAACA1
SCHEMBL4442716 0.83 HSD17B1 (0.56) SMN1; SMN2NPC1GAAHSD17B1HSD17B2
SCHEMBL18026697 0.82 POLB (0.63) RAB9ASMN1; SMN2NPC1GAALMNA
SCHEMBL19232045 0.82 RAB9A (0.56) RAB9ASMN1; SMN2NPC1GAAPOLB
SCHEMBL14340498 0.82 TP53 (0.56) RAB9ASMN1; SMN2NPC1GAACA1
SCHEMBL2090279 0.81 CYP1A2 (0.58) RAB9ASMN1; SMN2NPC1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 EP disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 US disclosed
EP-2704572-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2015-12-30 EP disclosed
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 US disclosed
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 US disclosed
WO-2013169401-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2013-11-14 WO disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
WO-2012151561-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 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 (8 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT RAB9A 3625/4885SMN1; SMN2 4280/4885NPC1 2825/4885
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES BRAF, RAF1, EGFR RAB9A 792/4885SMN1; SMN2 4214/4885NPC1 1343/4885
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 RAB9A 1514/4885SMN1; SMN2 4617/4885NPC1 1042/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT RAB9A 3832/4885SMN1; SMN2 4521/4885NPC1 2350/4885
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 RAB9A 1514/4885SMN1; SMN2 4617/4885NPC1 1042/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT RAB9A 3832/4885SMN1; SMN2 4521/4885NPC1 2350/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT RAB9A 3832/4885SMN1; SMN2 4521/4885NPC1 2350/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT RAB9A 3832/4885SMN1; SMN2 4521/4885NPC1 2350/4885

“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.