SCHEMBL20075840

SCHEMBL20075840

Cc1nc2[nH]c(C(F)(F)F)cc(=O)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RAD51 Q06609 2/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 1/20 0.36
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALPL P05186 2/20 0.35
ALPI P09923 2/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL20076007 0.88 USP2 (0.35) KDM4EALDH1A1RAD51USP2TSHR
SCHEMBL20076014 0.86 ALDH1A1 (0.47) KDM4EALDH1A1USP2TSHRHPGD
SCHEMBL20588719 0.78 KDM4E (0.44) KDM4EALDH1A1USP2TSHRHPGD
SCHEMBL20076035 0.74 YTHDF2 (0.47) KDM4EALDH1A1RAD51USP2HPGD
SCHEMBL20075834 0.73 HAVCR2 (0.34) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL20075837 0.73 KDM4E (0.36) KDM4EALDH1A1RAD51HPGDLMNA
SCHEMBL20075885 0.73 HAVCR2 (0.32) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL12290303 0.72 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL20075888 0.72 YTHDF2 (0.42) MEN1KMT2A
SCHEMBL20075893 0.72 YTHDF2 (0.42) KDM4EALDH1A1RAD51USP2HPGD

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-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US claimed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071282-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-20200048259-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM4E 11/4885ALDH1A1 1410/4885RAD51 2333/4885

“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.