SCHEMBL20074201

SCHEMBL20074201

O=c1cc(-c2ccncc2)[nH]c2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 13/20 0.40
PKN1 Q16512 2/20 0.38
PKN2 Q16513 2/20 0.38
CDK9 P50750 2/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
PRKD3 O94806 1/20 0.38
CHEK2 O96017 1/20 0.38
CDK1 P06493 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
CSNK1A1 P48729 1/20 0.38

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
SCHEMBL20074288 0.86 KDM4E (0.50) CDK1MAPK1GSK3AGSK3BCDK5
SCHEMBL20074296 0.84 CHEK1 (0.42) CDK9DAPK3CDK1PRKACACSNK1A1
SCHEMBL31677033 0.83 TSHR (0.36) MAPKAPK2KDM4ENPC1ALDH1A1LMNA
SCHEMBL31677015 0.83 SMN1; SMN2 (0.45) PKN2MAPKAPK2ALDH1A1SMN1; SMN2KIT
SCHEMBL15659549 0.80 ALDH1A1 (0.51) CDK1GSK3AGSK3BCDK5KDM4E
SCHEMBL20074293 0.77 EGLN2 (0.48) MAPK1MAPKAPK2KDM4EALDH1A1LMNA
SCHEMBL20074290 0.77 EGLN2 (0.48) CDK9DAPK3PRKACACSNK1A1MAPKAPK2
SCHEMBL31676996 0.77 TSHR (0.34) CHEK2CDK2AKT1ACVR1MAPKAPK5
SCHEMBL20074294 0.75 KDM5B (0.40) CDK2MAPK1ACVR1KIT
SCHEMBL31677038 0.73 KDM5B (0.42) KDM4EALDH1A1LMNAHPGD

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-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
WO-2018071283-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C CDC7 623/4885PKN1 790/4885PKN2 1103/4885

“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.