SCHEMBL213500

SCHEMBL213500

COc1ccc(Cl)cc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
POLB P06746 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KLF5 Q13887 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
IGF1R P08069 3/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
METAP2 P50579 1/20 0.42

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
SCHEMBL214763 0.91 NTRK1 (0.49) NTRK1NTRK2POLBNPC1RAB9A
SCHEMBL214938 0.89 MAPT (0.47) POLBNPC1RAB9AKLF5TDP1
SCHEMBL215203 0.89 STK33 (0.40) POLBNPC1RAB9AKLF5TDP1
SCHEMBL215084 0.86 MAPT (0.43) POLBNPC1RAB9AKLF5TDP1
SCHEMBL216093 0.85 MAPT (0.49) NTRK1NTRK2POLBNPC1RAB9A
SCHEMBL214042 0.85 MAPT (0.43) NTRK1NTRK2NPC1RAB9ATDP1
SCHEMBL215674 0.84 LMNA (0.47) POLBNPC1RAB9AKLF5TDP1
SCHEMBL214646 0.83 EPHB3 (0.44) POLBTDP1MAPTKMT2AMEN1
SCHEMBL213393 0.83 MAPT (0.46) NTRK1NTRK2NPC1RAB9ATDP1
SCHEMBL214139 0.82 MAPT (0.49) NTRK1NTRK2NPC1RAB9ATDP1

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 NTRK1 2514/4885NTRK2 1369/4885POLB 3464/4885

“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.