SCHEMBL26807476

SCHEMBL26807476

COc1cc(C)cc(C)c1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.36
▸ ACVR1 Q04771 8/20 0.35
▸ NOD2 Q9HC29 7/20 0.35
▸ RIPK2 O43353 5/20 0.35
▸ HTR6 P50406 6/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ QPCT Q16769 1/20 0.35
▸ TGFBR1 P36897 2/20 0.34
▸ BMPR1B O00238 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ BMPR1A P36894 1/20 0.34
▸ ACVR1B P36896 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ DDR1 Q08345 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PTK6 Q13882 1/20 0.34

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
SCHEMBL24309512 0.94 FLT3 (0.36) ACVR1NOD2RIPK2HTR6BRD4
SCHEMBL26807471 0.91 ACVR1 (0.40) ACVR1NOD2RIPK2HTR6TGFBR1
SCHEMBL24310583 0.88 RIPK2 (0.38) ALOX12ACVR1NOD2RIPK2HTR6
SCHEMBL26807728 0.86 FLT3 (0.37) ACVR1NOD2RIPK2HTR6CDK4
SCHEMBL26807463 0.85 ACVR1 (0.40) ACVR1NOD2RIPK2HTR6TGFBR1
SCHEMBL26807316 0.85 RIPK2 (0.39) ACVR1NOD2RIPK2HTR6
SCHEMBL29566726 0.85 RIPK2 (0.39) ACVR1NOD2RIPK2HTR6
SCHEMBL26811472 0.85 NOD2 (0.36) ALOX12ACVR1NOD2RIPK2HTR6
SCHEMBL26809994 0.85 GUSB (0.36) ALOX12ACVR1NOD2RIPK2HTR6
SCHEMBL26807778 0.85 HTR3E (0.46) ACVR1NOD2RIPK2HTR6TGFBR1

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 ALOX12 3292/4885ACVR1 1319/4885NOD2 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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