SCHEMBL20074296

SCHEMBL20074296

O=c1cc(-c2ccc(Cl)cc2)[nH]c2ncnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKACA P17612 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL20074186 0.85 KIT (0.41) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL13778097 0.85 TSHR (0.37) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL20074288 0.85 KDM4E (0.50) CSF1RGSK3AGSK3BCCNB2CDK1
SCHEMBL20074290 0.85 EGLN2 (0.48) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL15659549 0.82 ALDH1A1 (0.51) GSK3AGSK3BMAP2K1CCNB2CDK1
SCHEMBL31677033 0.79 TSHR (0.36) AURKAAURKBKDM4EKMT2AALDH1A1
SCHEMBL20074199 0.77 KDM5B (0.39) CLK4KDM4EKMT2AALDH1A1GAA
SCHEMBL20074292 0.77 MEN1 (0.47) ABL1PIM1MAPK14EGLN2KDM4E
SCHEMBL15657910 0.77 KDM4E (0.46) KDM4EKMT2AALDH1A1MAPTTHRB
SCHEMBL31677015 0.76 SMN1; SMN2 (0.45) KMT2AALDH1A1SMN1; 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 4 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 claimed
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 CHEK1 1154/4885AURKA 215/4885DAPK3 1683/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C CHEK1 1154/4885AURKA 215/4885DAPK3 1683/4885

“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.