SCHEMBL558305

SCHEMBL558305

Cc1ccc(F)c2cc(N)ncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.45
NOS2 P35228 4/20 0.45
NOS1 P29475 3/20 0.45
ABL1 P00519 1/20 0.41
ALOX5AP P20292 6/20 0.39
FEN1 P39748 5/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37

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
SCHEMBL15460045 0.86 NOS3 (0.54) NOS3NOS2NOS1ABL1GABRP
SCHEMBL559510 0.78 ALOX5AP (0.39) ALOX5APFEN1GRM1PDPK1MAPT
SCHEMBL2551647 0.78 NOS3 (0.45) NOS3NOS2NOS1ABL1ALOX5AP
SCHEMBL15460042 0.74 NOS3 (0.45) NOS3NOS2NOS1ABL1ALOX5AP
SCHEMBL31426287 0.74 NOS3 (0.45) NOS3NOS2NOS1ABL1ALOX5AP
SCHEMBL2549161 0.73 ABL1 (0.44) NOS3NOS2NOS1ABL1ALOX5AP
SCHEMBL30911171 0.71
SCHEMBL29547554 0.71
SCHEMBL558016 0.71
SCHEMBL11711471 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315761-B1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LTD (GB) 2018-07-11 EP disclosed
EP-2315761-B1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LTD (GB) 2018-07-11 EP disclosed
US-8461339-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (US) 2013-06-11 US disclosed
US-8461339-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (US) 2013-06-11 US disclosed
US-8461339-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (US) 2013-06-11 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20110130394-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-06-02 US disclosed
EP-2315761-A1 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2011-05-04 EP disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
WO-2010007374-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2010-01-21 WO disclosed
WO-2010007374-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2010-01-21 WO disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 NOS3 431/4885NOS2 527/4885NOS1 433/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 NOS3 431/4885NOS2 527/4885NOS1 433/4885
US-20110130394-A1 PHARMACEUTICAL COMPOUNDS NR2C2, NR3C2, NR0B2 NOS3 235/4885NOS2 586/4885NOS1 523/4885

“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.