SCHEMBL5757076

SCHEMBL5757076

C/C(=N\Nc1ccc(C#N)cc1)c1cc[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
THRB P10828 1/20 0.48
CA9 Q16790 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
GFER P55789 1/20 0.37
DHODH Q02127 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.34

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
SCHEMBL5756758 1.00 MAPT (0.48) MAPTTHRBCA9HTTSMN1; SMN2
SCHEMBL5789060 0.81 MAPT (0.45) MAPTCA9HTTSMN1; SMN2CYP1B1
SCHEMBL5789065 0.81 MAPT (0.45) MAPTCA9HTTSMN1; SMN2CYP1B1
SCHEMBL5756247 0.81 MEN1 (0.56) MAPTHTTSMN1; SMN2KDM4EMAPK1
SCHEMBL5751505 0.81 MAPT (0.48) MAPTTHRBSMN1; SMN2KDM4EMAPK1
SCHEMBL5754707 0.81 MAPT (0.48) MAPTTHRBSMN1; SMN2KDM4EMAPK1
SCHEMBL27863583 0.72 TAS1R3 (0.52) MAPTHTTKDM4EMAPK1MEN1
SCHEMBL12670654 0.72 MAPT (0.64) MAPTTHRBCA9HTTSMN1; SMN2
SCHEMBL11730442 0.72 MAPT (0.64) MAPTTHRBCA9HTTSMN1; SMN2
SCHEMBL23928657 0.69 MAPT (0.64) MAPTTHRBCA9HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 MAPT 1668/4885THRB 1224/4885CA9 2819/4885

“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.