SCHEMBL1662957

SCHEMBL1662957

COc1cc(Cl)nc2n[nH]c(C3=CC=C3)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
PIK3CD O00329 2/20 0.33
ABL1 P00519 2/20 0.33
EGFR P00533 2/20 0.33
HCK P08631 2/20 0.33
SRC P12931 2/20 0.33
KDR P35968 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 0.33
EPHB4 P54760 2/20 0.33
PRKDC P78527 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRNP P04156 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
SCHEMBL1662955 0.69 FYN (0.40) GRM5FYNPDE3A
SCHEMBL28412458 0.63 HPGD (0.35) MAPTKDM4EUSP2ALDH1A1PRNP
SCHEMBL30682140 0.63 HPGD (0.35) MAPTKDM4EUSP2ALDH1A1PRNP
SCHEMBL13313436 0.60 NQO2 (0.46) MAPTLMNAKDM4EALDH1A1
SCHEMBL30682133 0.59 AXL (0.42) MAPTLMNAKDRKDM4EALDH1A1
SCHEMBL28412117 0.59 AXL (0.42) MAPTLMNAKDRKDM4EALDH1A1
SCHEMBL26607236 0.58 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31166625 0.57 S1PR1 (0.38) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL7811233 0.56 ALDH1A1 (0.51) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL6165212 0.56 S1PR1 (0.40) MAPTLMNAKDM4EALDH1A1HPGD

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
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US disclosed
EP-2490693-A1 PYRAZOLO [3,4-b]PYRIDIN-4-ONE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 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-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS CDK1, CDK5, TTBK1 MAPT 57/4885LMNA 1882/4885TP53 387/4885

“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.