SCHEMBL5754707

SCHEMBL5754707

C/C(=N\Nc1ccccc1)c1cc[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
ALDH1A1 P00352 9/20 0.48
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 11/20 0.47
TDP1 Q9NUW8 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
GFER P55789 2/20 0.44
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.40
XDH P47989 1/20 0.40
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL5751505 1.00 MAPT (0.48) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5789060 0.84 MAPT (0.45) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5756247 0.84 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5789065 0.84 MAPT (0.45) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5757076 0.81 MAPT (0.48) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL5756758 0.81 MAPT (0.48) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL23641153 0.76 MAPT (0.56) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL6480103 0.75 KMT2A (0.53) MAPTALDH1A1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL7176170 0.73 KMT2A (0.54) MAPTALDH1A1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL7179015 0.73 KMT2A (0.54) MAPTALDH1A1KMT2AMEN1CYP1A2

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 1668/4885ALDH1A1 2469/4885KMT2A 1158/4885

“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.