SCHEMBL26809991

SCHEMBL26809991

CC(=O)N1CCCN(c2ccc(Oc3cc(-c4c(C)cccc4C)nc(NS(=O)(=O)c4cnn(C)c4)n3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.38
▸ CDK8 P49336 2/20 0.38
▸ FLT3 P36888 3/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ USP2 O75604 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ EED O75530 1/20 0.37
▸ PIK3CA P42336 1/20 0.35
▸ SYK P43405 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ JAK2 O60674 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
SCHEMBL26810213 0.97 CCNC (0.40) CCNCCDK8FLT3USP2TSHR
SCHEMBL26810000 0.90 MAP4K1 (0.41) FLT3JAK2JAK1JAK3
SCHEMBL24310087 0.90 ALDH1A1 (0.37) USP2TSHRALDH1A1ALOX15MAPK1
SCHEMBL29566685 0.90 ALDH1A1 (0.37) USP2TSHRALDH1A1ALOX15MAPK1
SCHEMBL26810055 0.90 ALDH1A1 (0.37) USP2TSHRALDH1A1ALOX15MAPK1
SCHEMBL29567227 0.88 MAP4K1 (0.43) FLT3JAK2JAK1JAK3
SCHEMBL24310343 0.88 MAP4K1 (0.43) FLT3JAK2JAK1JAK3
SCHEMBL26810214 0.88 TGFBR1 (0.45) TSHRPIK3CAMAPTLMNASMN1; SMN2
SCHEMBL24310545 0.86 KMT2A (0.38) USP2TSHRPIK3CAALDH1A1HTT
SCHEMBL26810016 0.86 JAK2 (0.38) FLT3MAPK1JAK2JAK1JAK3

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 CCNC 4302/4885CDK8 4365/4885FLT3 4133/4885

“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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