SCHEMBL4021167

SCHEMBL4021167

Cc1[nH]nc(Nc2cncc(Nc3ccccc3)n2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.47
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
BRAF P15056 4/20 0.43
IGF1R P08069 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PLK4 O00444 1/20 0.39
PAK4 O96013 1/20 0.39
HCAR3 P49019 1/20 0.39
AURKA O14965 3/20 0.39
SRC P12931 1/20 0.39
GSK3B P49841 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37

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
SCHEMBL4303615 0.85 SMN1; SMN2 (0.42) CDK2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL10488953 0.85 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4014354 0.83 GRM4 (0.45) CDK2MAPTSMN1; SMN2PLK4PAK4
SCHEMBL10488500 0.76 NPC1 (0.42) CDK2MAPTSMN1; SMN2AURKARAB9A
SCHEMBL11085536 0.76 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10488504 0.73 KMT2A (0.57) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10675567 0.73 SMN1; SMN2 (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13663476 0.73 IGF1R (0.56) CDK2MAPTBRAFIGF1RPLK4
SCHEMBL10488476 0.73 LRRK2 (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14308717 0.72 CDK2 (0.74) CDK2MAPTCYP1A2CYP2D6BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 CDK2 67/4885MAPT 758/4885CYP1A2 3136/4885

“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.