SCHEMBL4411685

SCHEMBL4411685

CSc1ncc2c(-c3cc(F)ccc3NC(=O)OC(C)(C)C)nn(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
BACE1 P56817 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
CHRM3 P20309 2/20 0.33
RORC P51449 2/20 0.33

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
SCHEMBL4263103 0.85 CYP17A1 (0.44) MAPTRXFP1PIK3CDABL1EGFR
SCHEMBL4788880 0.74 BTK (0.43) RORCMAPK14BRD4
SCHEMBL4261932 0.70 CYP17A1 (0.44) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL6880338 0.70 DAPK1 (0.43) MAPTRXFP1KCNQ4KCNQ5RORC
SCHEMBL30878758 0.69 BRD9 (0.41) MAPTRXFP1MAPK1BRD9BRD4
SCHEMBL10255498 0.67 NTRK1 (0.42) MAPTRXFP1CCNA2CDK2GSK3B
SCHEMBL1492532 0.67 NTRK1 (0.41) MAPTCCNA2CDK2GSK3BDYRK1A
SCHEMBL6016343 0.66 NTRK1 (0.51) MAPTRXFP1TP53
SCHEMBL857284 0.65 HTT (0.55) MAPTKCNQ4KCNQ5HTTCYP17A1
SCHEMBL30849735 0.65 KCNQ4 (0.47) RXFP1KCNQ4KCNQ5CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES ADAMS JERRY LEROY 2009-01-29 US disclosed
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 US disclosed
US-7217710-B2 Substituted pyrazolopyrimidines SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-10-07 US 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 (3 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-20070293489-A1 Substituted Pyrazolopyrimidines DPYD, TPMT, TYMP MAPT 2437/4885RXFP1 4799/4885KCNQ4 1713/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP MAPT 2437/4885RXFP1 4799/4885KCNQ4 1713/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS MAPT 3139/4885RXFP1 4772/4885KCNQ4 3259/4885

“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.