SCHEMBL29438346

SCHEMBL29438346

COc1ncc(-c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)N[C@H]3CCOc4ccccc43)c(N(C)C)c12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.42
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ P2RX7 Q99572 1/20 0.34
▸ HPGDS O60760 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ TRPV1 Q8NER1 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
SCHEMBL21875803 1.00 MAPK1 (0.42) MAPK1BRD4CREBBPP2RX7HPGDS
SCHEMBL29965218 1.00 MAPK1 (0.42) MAPK1BRD4CREBBPP2RX7HPGDS
SCHEMBL21875807 0.87 MAPK1 (0.40) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL29438317 0.87 MAPK1 (0.40) MAPK1BRD4CREBBPP2RX7TRPV1
SCHEMBL29965322 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
SCHEMBL21875780 0.87 MAPK1 (0.40) MAPK1BRD4CREBBPKMT2A
SCHEMBL29438298 0.87 MAPK1 (0.40) MAPK1BRD4CREBBPKMT2A

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-20220064160-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (US) 2022-03-03 — — US claimed
US-20220064160-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (US) 2022-03-03 — — 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-20220064160-A1 BICYCLIC DERIVATIVES FABP3, CYCS, PIGS MAPK1 3920/4885BRD4 125/4885CREBBP 3338/4885

“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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