SCHEMBL24488606

SCHEMBL24488606

CN[C@@H](C)C(=O)NC(C(=O)N1CCC[C@H]1Cn1nc(C#N)c2cc(Cl)ccc21)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 4/20 0.45
▸ BIRC2 Q13490 10/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ XIAP P98170 8/20 0.40
▸ BIRC3 Q13489 5/20 0.40

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
SCHEMBL22450599 1.00 TNF (0.45) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL22450830 1.00 TNF (0.45) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL24067369 0.88 TNF (0.46) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL24067357 0.88 TNF (0.46) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL24067367 0.87 BIRC2 (0.45) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL22450668 0.87 BIRC2 (0.45) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL24067411 0.81 CNR1 (0.46) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL22450712 0.81 CNR1 (0.46) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL24067338 0.80 TNF (0.54) TNFBIRC2CYP3A4XIAPBIRC3
SCHEMBL24182128 0.80 TNF (0.47) TNFBIRC2CYP3A4XIAPBIRC3

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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 — — 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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 TNF 1106/4885BIRC2 3/4885CYP3A4 4540/4885

“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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