SCHEMBL942032

SCHEMBL942032

NC(=O)c1nc2sccc2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
KDR P35968 1/20 0.49
MAP2K2 P36507 1/20 0.49
FLT3 P36888 1/20 0.49
MAPK8 P45983 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CDK8 P49336 1/20 0.49

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
SCHEMBL8187452 0.85 SPR (0.54) KMT2ACHEK1AURKADAPK3JAK2
SCHEMBL3672065 0.78 KMT2A (0.50) KMT2ACHEK1AURKADAPK3JAK2
SCHEMBL164607 0.77 MAPT (0.61) KMT2ASPRKRASMAPTPARP15
SCHEMBL654124 0.76 DYRK1A (0.59) KMT2ACHEK1AURKADAPK3JAK2
SCHEMBL17257960 0.74 TNKS2 (0.44) KMT2ACHEK1AURKADAPK3JAK2
SCHEMBL655888 0.73 KMT2A (0.63) KMT2ACHEK1AURKADAPK3JAK2
SCHEMBL18248461 0.73 KMT2A (0.58) KMT2ACHEK1AURKADAPK3JAK2
SCHEMBL19090050 0.73 KMT2A (0.58) KMT2ACHEK1AURKADAPK3JAK2
SCHEMBL18689704 0.72 KMT2A (0.54) KMT2ACHEK1AURKADAPK3JAK2
SCHEMBL941961 0.70 QTRT1 (0.59) KMT2AMAPTPARP1TNKS2TNKS

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
EP-2170843-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-04-07 EP claimed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO claimed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
EP-2170843-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-04-07 EP disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 KMT2A 1984/4885CHEK1 4086/4885AURKA 1971/4885

“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.