SCHEMBL20074294

SCHEMBL20074294

Cn1cc(-c2cc(=O)n3ncnc3[nH]2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.40
TTK P33981 4/20 0.39
AURKB Q96GD4 2/20 0.39
AURKA O14965 1/20 0.39
INCENP Q9NQS7 1/20 0.39
ACVR1 Q04771 1/20 0.38
KIT P10721 5/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CREBBP Q92793 2/20 0.36
TSHR P16473 2/20 0.36
FGFR3 P22607 1/20 0.35
CHRM1 P11229 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
MAPK1 P28482 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL31677026 0.83 KDM5B (0.40) KDM5BAURKBKITTSHRFGFR3
SCHEMBL20074198 0.83 KDM5B (0.44) KDM5BAURKBAURKACREBBPTSHR
SCHEMBL20074321 0.83 KDM5B (0.38) KDM5BAURKBKITCREBBPTSHR
SCHEMBL31677033 0.80 TSHR (0.36) TTKAURKBAURKAINCENPTSHR
SCHEMBL20074288 0.77 KDM4E (0.50) TSHRMAPK1
SCHEMBL31676996 0.76 TSHR (0.34) KDM5BTTKAURKBAURKAACVR1
SCHEMBL20074201 0.75 CDC7 (0.40) ACVR1KITCDK2MAPK1
SCHEMBL20074184 0.75 KDM5B (0.39) KDM5BTSHR
SCHEMBL20074296 0.74 CHEK1 (0.42) KDM5BAURKBAURKAACVR1TSHR
SCHEMBL31677015 0.74 SMN1; SMN2 (0.45) KIT

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-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 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 (2 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-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM5B 2/4885TTK 1091/4885AURKB 210/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885TTK 1091/4885AURKB 210/4885

“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.