SCHEMBL3322287

SCHEMBL3322287

COCNC(=O)c1ccn2ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.50
PIK3C3 Q8NEB9 1/20 0.41
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
NTRK1 P04629 1/20 0.39
SSTR4 P31391 1/20 0.39
TP53 P04637 1/20 0.37
HDAC1 Q13547 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL23089629 0.85 NAMPT (0.53) NAMPTPIK3C3NTRK1SSTR4HDAC1
SCHEMBL1427735 0.83 NAMPT (0.50) NAMPTPIK3C3NTRK1SSTR4HDAC1
SCHEMBL20603245 0.81 NAMPT (0.55) NAMPTHDAC1CYP2C9
SCHEMBL28410809 0.80 NAMPT (0.60) NAMPTHDAC1CYP2C9
SCHEMBL376440 0.80 JMJD6 (0.48) NAMPTPIK3C3SSTR4MAPT
SCHEMBL15176490 0.80 NAMPT (0.47) NAMPTPIK3C3NTRK1SSTR4
SCHEMBL1793919 0.78 NAMPT (0.48) NAMPTPIK3C3NTRK1SSTR4HDAC1
SCHEMBL15175942 0.78 MEN1 (0.43) NAMPTPIK3C3CDK2GSK3BNTRK1
SCHEMBL21580147 0.76 NAMPT (0.65) NAMPTHDAC1CYP2C9
SCHEMBL5792747 0.76 NAMPT (0.45) NAMPTPIK3C3CDK2GSK3BNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 US disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2114941-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS Astex Therapeutics Limited (GB) 2009-11-11 EP disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 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 (2 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 NAMPT 608/4885PIK3C3 1137/4885CDK2 24/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 NAMPT 2723/4885PIK3C3 1436/4885CDK2 458/4885

“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.