SCHEMBL4015442

SCHEMBL4015442

Cc1[nH]nc(Nc2cncc(Cl)n2)c1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CDK2 P24941 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CSNK2A2 P19784 1/20 0.34
KDR P35968 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
GAA P10253 1/20 0.34
AURKA O14965 4/20 0.33
AURKB Q96GD4 1/20 0.33
ATR Q13535 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32

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 0.84 SMN1; SMN2 (0.42) POLBMAPTCDK2SMN1; SMN2ALDH1A1
SCHEMBL4014354 0.83 GRM4 (0.45) GRM4POLBMAPTCDK2SMN1; SMN2
SCHEMBL14518147 0.71 ATR (0.48) CDK2ATRSTK17BSTK17A
SCHEMBL18036252 0.68 GRM5 (0.40) CDK2LMNAATRSTK17BSTK17A
SCHEMBL4021167 0.68 CDK2 (0.47) POLBMAPTCDK2SMN1; SMN2AURKA
SCHEMBL4015445 0.67 MAPT (0.37) MAPTCDK2AURKASTK17BSTK17A
SCHEMBL18942484 0.67 CCNT1 (0.41) POLBMAPTCDK2ALDH1A1ATR
SCHEMBL2593811 0.66 CSF1R (0.41) MAPTLMNAKDRATRSTK17B
SCHEMBL16160098 0.66 CSF1R (0.41) MAPTLMNAKDRATRSTK17B
SCHEMBL16817615 0.64 HCAR2 (0.47) POLBMAPTALDH1A1LMNACSNK2A2

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 GRM4 2600/4885POLB 1720/4885MAPT 758/4885

“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.