SCHEMBL18647938

SCHEMBL18647938

CC(C)C(C)Cc1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL2948062 0.79 KDM4E (0.39) KDM4E
SCHEMBL19540309 0.76 NAAA (0.32) NAAA
SCHEMBL15255480 0.75 LMNA (0.35) KDM4E
SCHEMBL22092989 0.75 SLC6A2 (0.44) HTR2AHTR2CHTR2B
SCHEMBL9035682 0.75 KDM4E (0.30) KDM4E
SCHEMBL18948134 0.75 NPC1 (0.33) —
SCHEMBL23765410 0.73 GRIN2D (0.52) —
SCHEMBL20128507 0.73 GRIN2D (0.52) —
SCHEMBL26828707 0.71 TRPA1 (0.36) TRPA1
SCHEMBL19388196 0.70 TSHR (0.36) —

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-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 — — US disclosed
US-9598435-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-03-21 — — 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-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE PNPO, DPYD, PYGB TRPA1 4052/4885HTR2A 701/4885HTR2C 928/4885

“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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