SCHEMBL26814517

SCHEMBL26814517

Cc1cccc(C)c1-c1cc(Oc2ccc(NCCN)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PRKD3 O94806 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ IRAK4 Q9NWZ3 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
SCHEMBL26814554 0.92 ALDH1A1 (0.39) SMN1; SMN2PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26814696 0.91 MTOR (0.36) SMN1; SMN2PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26814683 0.91 MKNK1 (0.38) SMN1; SMN2PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26806466 0.91 HTR1A (0.34) SMN1; SMN2PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26814536 0.90 PIK3CD (0.36) SMN1; SMN2PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26814745 0.90 BPTF (0.35) PIK3CDPIK3CBMTORPIK3CGIRAK4
SCHEMBL26856953 0.89 SMN1; SMN2 (0.36) SMN1; SMN2PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26814715 0.89 MAP4K1 (0.33) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL26814500 0.88 HTR1A (0.36) SMN1; SMN2PIK3CDPIK3CBMTORPIK3CG
SCHEMBL24309393 0.86 HTR1A (0.36) SMN1; SMN2PIK3CDPIK3CBMTORPIK3CG

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-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 SMN1; SMN2 4847/4885PIK3CD 368/4885PIK3CB 655/4885

“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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