SCHEMBL29965397

SCHEMBL29965397

COc1ncc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 11/20 0.42
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ P2RX7 Q99572 3/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33

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
SCHEMBL21875820 1.00 MAPK1 (0.42) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL29438267 1.00 MAPK1 (0.42) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL29438317 0.87 MAPK1 (0.40) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL29965322 0.87 MAPK1 (0.40) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL21875807 0.87 MAPK1 (0.40) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL21875776 0.87 MAPK1 (0.46) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL29964199 0.87 MAPK1 (0.46) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL29438284 0.87 MAPK1 (0.46) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL21875787 0.87 MAPK1 (0.41) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL29964976 0.87 MAPK1 (0.41) MAPK1BRD4CREBBPP2RX7TRPV1

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-11485733-B2 Azaquinoline derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-01 — — 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-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 MAPK1 4432/4885BRD4 1125/4885CREBBP 4727/4885

“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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