SCHEMBL27125769

SCHEMBL27125769

O=c1ccn(CC(F)(F)F)c(=O)n1Cc1cc2c(Cl)ncnn2c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD17B13 Q7Z5P4 1/20 0.35
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ PDE1B Q01064 1/20 0.31
▸ TNIK Q9UKE5 2/20 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
SCHEMBL27124750 0.81 PDE1B (0.32) PDE1BTNIK
SCHEMBL27126075 0.76 HSP90AA1 (0.32) —
SCHEMBL30781206 0.74 USP7 (0.36) USP7
SCHEMBL27119707 0.74 USP7 (0.36) USP7
Hydrochloric Acid SCHEMBL30781393 0.73 USP7 (0.35) USP7
SCHEMBL30781192 0.73 USP7 (0.44) HSD17B13USP7
SCHEMBL30781291 0.73 USP7 (0.44) HSD17B13USP7
Hydrochloric Acid SCHEMBL30781420 0.72 USP7 (0.43) HSD17B13USP7
Hydrochloric Acid SCHEMBL30781412 0.72 USP7 (0.43) HSD17B13USP7
SCHEMBL30781131 0.72 USP7 (0.42) HSD17B13USP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 — — US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — 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-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 HSD17B13 1649/4885AKR1B10 3448/4885AKR1B1 3440/4885

“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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