SCHEMBL20074286

SCHEMBL20074286

CCc1c(C)[nH]c2ncnn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.38
KDM5B Q9UGL1 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM5A P29375 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT5 Q9NXA8 1/20 0.32
MAPT P10636 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
SCHEMBL11714380 0.83 GAA (0.40) ALDH1A1KDM4ETSHRNPC1RAB9A
SCHEMBL18057659 0.82 TSHR (0.40) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL20074191 0.79 TSHR (0.38) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL20074185 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL20074197 0.77 TSHR (0.41) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL20074289 0.77 KDM5B (0.40) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL20074200 0.77 TSHR (0.38) ALDH1A1HPGDTSHRKDM5BMEN1
SCHEMBL20074188 0.74 TSHR (0.43) ALDH1A1HPGDTSHRKDM5BMEN1
SCHEMBL2465378 0.74 ALKBH3 (0.41) KDM4EHPGDTSHRMAPT
SCHEMBL2455657 0.74 ENPP1 (0.50) ALDH1A1MEN1KMT2ASMN1; 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 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 ALDH1A1 1399/4885KDM4E 11/4885HPGD 3907/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C ALDH1A1 1399/4885KDM4E 11/4885HPGD 3907/4885

“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.