SCHEMBL26807465

SCHEMBL26807465

COCc1ccccc1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 6/20 0.39
▸ RIPK2 O43353 4/20 0.39
▸ NOD2 Q9HC29 4/20 0.39
▸ GUSB P08236 4/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ ALOX12 P18054 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ MAPK10 P53779 2/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCND2 P30279 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CCNA1 P78396 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
SCHEMBL24310301 0.90 GUSB (0.37) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL29566475 0.90 GUSB (0.37) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL29566726 0.89 RIPK2 (0.39) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL26807316 0.89 RIPK2 (0.39) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL26807468 0.88 GUSB (0.42) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL26808355 0.87 HTR6 (0.39) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL26807460 0.86 HTR6 (0.43) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL26807466 0.86 FLT3 (0.38) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL26807780 0.85 LTA4H (0.47) ACVR1RIPK2NOD2GUSBHTR6
SCHEMBL29566429 0.85 RIPK2 (0.37) ACVR1RIPK2NOD2GUSBHTR6

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ACVR1 1319/4885RIPK2 3698/4885NOD2 724/4885

“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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