SCHEMBL213501

SCHEMBL213501

COc1ccc(Cl)cc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KLF5 Q13887 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAP2 P11137 1/20 0.39
FGFR1 P11362 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL214764 0.90 POLB (0.48) POLBNPC1RAB9AFGFR1NTRK1
SCHEMBL214939 0.89 POLB (0.36) POLBNPC1RAB9AKLF5TDP1
SCHEMBL215204 0.88 KMT2A (0.37) POLBNPC1RAB9AKLF5TDP1
SCHEMBL215085 0.86 GRM2 (0.35) POLBNPC1RAB9AKLF5TDP1
SCHEMBL216094 0.85 POLB (0.48) POLBNPC1RAB9AFGFR1NTRK1
SCHEMBL214043 0.84 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL215675 0.84 POLB (0.44) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL214647 0.82 POLB (0.38) POLBNPC1RAB9ATDP1FGFR1
SCHEMBL213394 0.82 POLB (0.48) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL214140 0.82 POLB (0.48) POLBNPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 POLB 3464/4885NPC1 3307/4885RAB9A 2213/4885

“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.