SCHEMBL215893

SCHEMBL215893

Cc1ccc(Br)cc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
TP53 P04637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.39
MAPK14 Q16539 1/20 0.39
SMO Q99835 1/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL216491 0.91 NTRK1 (0.47) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL214938 0.89 MAPT (0.47) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL214337 0.89 NPSR1 (0.45) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL214714 0.89 MAPT (0.44) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL214139 0.88 MAPT (0.49) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL215903 0.88 MAPT (0.54) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL214361 0.86 MAPT (0.36) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL217226 0.86 MEN1 (0.48) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL216732 0.85 GSK3B (0.40) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL215595 0.84 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1HPGD

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 MAPT 2138/4885ALDH1A1 4295/4885KMT2A 437/4885

“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.