SCHEMBL26806550

SCHEMBL26806550

CCOc1cc(-c2c(C)cccc2C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ EIF2AK3 Q9NZJ5 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR1A P08908 5/20 0.36
▸ HTR7 P34969 5/20 0.36
▸ TTK P33981 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL24309545 0.89 TSHR (0.40) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL24310345 0.87 TSHR (0.43) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL29566612 0.87 TSHR (0.43) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL24309574 0.87 BRD4 (0.41) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL29567022 0.87 BRD4 (0.41) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL26806549 0.87 HTR1A (0.38) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL26806546 0.86 MCL1 (0.35) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL29566657 0.86 PIK3CG (0.41) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL26806504 0.86 PIK3CG (0.41) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL26806539 0.86 HTR1A (0.36) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR

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 TSHR 1755/4885SMN1; SMN2 4847/4885PIK3CD 368/4885

“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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