SCHEMBL3856673

SCHEMBL3856673

Clc1ccc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.45
ACSS2 Q9NR19 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP3K14 Q99558 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3855438 0.88 FGFR1 (0.56) FGFR1ACSS2NPC1RAB9AGAA
SCHEMBL29795166 0.83 HTT (0.35) FGFR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1876428 0.81 FGFR1 (0.45) FGFR1NPC1RAB9AALDH1A1HPGD
SCHEMBL29447536 0.81 NPC1 (0.39) FGFR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3037362 0.81 NPC1 (0.39) FGFR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3081829 0.81 CYP11B1 (0.39) ACSS2SMN1; SMN2CYP11B1CYP11B2MAPK1
SCHEMBL2794301 0.80 HTT (0.48) FGFR1SMN1; SMN2KMT2APOLBHPGD
SCHEMBL6489900 0.78 FGFR1 (0.45) FGFR1NPC1KDM4EKMT2AALDH1A1
SCHEMBL2967845 0.78 ACSS2 (0.38) FGFR1ACSS2SMN1; SMN2CYP11B1CYP11B2
SCHEMBL3852750 0.76 NPC1 (0.47) FGFR1NPC1RAB9AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 FGFR1 1241/4885ACSS2 3742/4885ADORA3 3521/4885

“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.