SCHEMBL21681602

SCHEMBL21681602

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ XDH P47989 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31

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
SCHEMBL20076168 0.79 HAVCR2 (0.36) HAVCR2HSD17B10XDHKDM4E
SCHEMBL20075836 0.76 ALDH1A1 (0.47) HAVCR2HSD17B10XDHKDM4EALDH1A1
SCHEMBL20075842 0.72 NPC1 (0.50) XDHKDM4EALDH1A1HPGD
SCHEMBL20076030 0.71 PDE3B (0.35) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL20076037 0.71 USP2 (0.34) HAVCR2HSD17B10XDH
SCHEMBL20588572 0.70 HRH4 (0.35) HSD17B10ALDH1A1HPGD
SCHEMBL20074200 0.70 TSHR (0.38) XDHALDH1A1HPGD
SCHEMBL20075884 0.67 KDM5B (0.35) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL20588719 0.66 KDM4E (0.44) HAVCR2HSD17B10XDHKDM4EALDH1A1
SCHEMBL20076180 0.65 KDM5B (0.35) HSD17B10KDM4EALDH1A1HPGD

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-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

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 HAVCR2 4388/4885HSD17B10 1574/4885XDH 1849/4885

“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.

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