SCHEMBL215700

SCHEMBL215700

Cc1ccc(CN(C(=O)c2nc[nH]c2C(N)=O)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
PAX8 Q06710 1/20 0.39
NTRK1 P04629 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
OPRK1 P41145 1/20 0.36
KLF5 Q13887 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL213971 0.92 PAX8 (0.43) SMN1; SMN2PAX8RAB9ANPC1KMT2A
SCHEMBL213852 0.90 POLB (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL215003 0.87 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL213584 0.84 CYP1A2 (0.38) PAX8CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL216070 0.84 POLB (0.47) SMN1; SMN2NTRK1RAB9ANPC1MEN1
SCHEMBL213519 0.84 MEN1 (0.46) SMN1; SMN2NTRK1RAB9ANPC1MEN1
SCHEMBL213720 0.83 ALDH1A1 (0.41) SMN1; SMN2PAX8RAB9ANPC1MEN1
SCHEMBL216144 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PAX8RAB9ANPC1MEN1
SCHEMBL213907 0.79 NPC1 (0.41) SMN1; SMN2PAX8RAB9ANPC1MEN1
SCHEMBL217227 0.78 POLB (0.37) SMN1; SMN2PAX8RAB9ANPC1MEN1

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 SMN1; SMN2 2516/4885PAX8 4790/4885NTRK1 2514/4885

“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.