SCHEMBL1662359

SCHEMBL1662359

O=c1cc(Cc2ccc(-c3ccccc3)cc2)[nH]c2n[nH]c(C3=CC=C3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DAO P14920 3/20 0.38
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
COMT P21964 1/20 0.35
PAK4 O96013 1/20 0.34
PRKX P51817 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
MARK3 P27448 1/20 0.33
GSK3A P49840 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MPO P05164 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
SCHEMBL1665156 0.83 KDM4A (0.37) ADORA1ALDH1A1DAOEGFRPARP1
SCHEMBL1662357 0.76 CDK2 (0.43) ADORA1KDM4EALDH1A1TP53HPGD
SCHEMBL1803254 0.73 JAK1 (0.60) ADORA1KDM4EALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL4714306 0.72 JAK1 (0.59) ADORA1KDM4EALDH1A1TP53HPGD
SCHEMBL1662427 0.62 JAK2 (0.41) ADORA1KDM4EALDH1A1TP53HPGD
SCHEMBL1664721 0.62 CCNB2 (0.37) ADORA1DAOEGFRPARP1
SCHEMBL1801293 0.60 KDM4E (0.39) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4714406 0.59 KDM4E (0.38) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL1802992 0.59 HPGD (0.73) ADORA1KDM4EALDH1A1TP53HPGD
SCHEMBL906558 0.57 SCN4A (0.47) KDM4EALDH1A1HPGDCOMTSMN1; SMN2

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 6 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 claimed
EP-2490693-A1 PYRAZOLO [3,4-b]PYRIDIN-4-ONE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP claimed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 WO claimed
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 ADORA1 2411/4885KDM4E 1219/4885ALDH1A1 3446/4885

“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.