SCHEMBL27066484

SCHEMBL27066484

CC(C)c1cnc2c[nH]ccc1-2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL23103993 0.76 CCR1 (0.33) —
SCHEMBL23108649 0.72 IDO1 (0.32) ALOX5AP
SCHEMBL19381987 0.70 TRPA1 (0.38) TAAR1ALOX5APFEN1
SCHEMBL23114543 0.68 MAOA (0.41) —
SCHEMBL27066490 0.67 KCNH2 (0.37) ALOX5APFEN1
SCHEMBL7261883 0.65 RPS6KA3 (0.51) —
SCHEMBL21467014 0.63 ALDH1A1 (0.42) —
SCHEMBL23103358 0.61 ALOX5AP (0.35) ALOX5APFEN1
SCHEMBL23133623 0.61 PIM1 (0.33) ALOX5APFEN1
SCHEMBL18019530 0.59 CCR1 (0.52) ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 — — 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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 TAAR1 4620/4885ALOX5AP 3256/4885FEN1 2204/4885

“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.

Send feedback