SCHEMBL724724

SCHEMBL724724

[c]1nc2ccccc2cc1-c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
CYP2A6 P11509 1/20 0.40
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CYP3A4 P08684 4/20 0.38
PIK3CA P42336 2/20 0.36
DUSP4 Q13115 1/20 0.36
PTP4A1 Q93096 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2320187 0.82 KDM4E (0.47) METAP2NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL11160532 0.78 PDGFRB (0.38) CYP2A6PDGFRBPDGFRACYP3A4PIK3CA
SCHEMBL5619122 0.78 CYP1A2 (0.35) CYP2A6PDGFRBPDGFRAPIK3CACYP1A2
SCHEMBL2659111 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL1385432 0.75 ALDH1A1 (0.42) CYP2A6PDGFRBPDGFRACYP3A4NPC1
SCHEMBL16268045 0.74 METAP2 (0.46) METAP2CYP3A4PIK3CADUSP4PTP4A1
SCHEMBL15229223 0.74 ALDH1A1 (0.43) PDGFRBPDGFRACYP3A4NPC1RAB9A
SCHEMBL523809 0.73 RAB9A (0.44) CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL7914703 0.73 PDGFRB (0.50) CYP2A6PDGFRBPDGFRACYP3A4NPC1
SCHEMBL1542711 0.73 DHODH (0.39) CYP2A6NPC1RAB9AALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 US claimed
EP-3743430-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-12-02 EP claimed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US claimed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO claimed
EP-2812323-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS Merck Patent GmbH (DE) 2014-12-17 EP claimed
WO-2013117288-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2013-08-15 WO claimed
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 US disclosed
EP-3743430-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-12-02 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO disclosed
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2015-06-04 US disclosed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 METAP2 1349/4885CYP2A6 4384/4885PDGFRB 3168/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 METAP2 1689/4885CYP2A6 3470/4885PDGFRB 884/4885
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors RIPK1, RIPK2, RIPK4 METAP2 1349/4885CYP2A6 4384/4885PDGFRB 3168/4885

“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.