SCHEMBL26810039

SCHEMBL26810039

CCN1CCN(c2ccc(Oc3cc(-c4c(C)cccc4C)nc(NS(=O)(=O)c4cnn(C)c4)n3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ PTK2 Q05397 5/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ HTR7 P34969 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BRD4 O60885 3/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ FES P07332 1/20 0.35
▸ RET P07949 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
SCHEMBL29567227 0.93 MAP4K1 (0.43) PTK2MAP4K1HTR7BRD4RET
SCHEMBL24310343 0.93 MAP4K1 (0.43) PTK2MAP4K1HTR7BRD4RET
SCHEMBL26810016 0.92 JAK2 (0.38) CA1CA2PTK2MAP4K1HTR7
SCHEMBL26810029 0.91 CTSS (0.39) MAP4K1HTR7JAK1
SCHEMBL26810043 0.91 BRD4 (0.36) MAP4K1HTR7BRD4RAD52
SCHEMBL29566685 0.91 ALDH1A1 (0.37) MAP4K1MAPTTSHRBRD4RAD52
SCHEMBL26810055 0.91 ALDH1A1 (0.37) MAP4K1MAPTTSHRBRD4RAD52
SCHEMBL24310087 0.91 ALDH1A1 (0.37) MAP4K1MAPTTSHRBRD4RAD52
SCHEMBL26810018 0.91 HTR6 (0.35) MAP4K1HTR7MAPTBRD4RAD52
SCHEMBL26812314 0.90 KMT2A (0.40) MAPTTSHRSMN1; SMN2GAA

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 CA12 4521/4885CA1 4872/4885CA2 2315/4885

“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.

Send feedback