SCHEMBL26810034

SCHEMBL26810034

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCN(C(C)(C)C)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.35
▸ RAD52 P43351 2/20 0.35
▸ BRD4 O60885 9/20 0.35
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ BRD2 P25440 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ BRD3 Q15059 2/20 0.34
▸ BRDT Q58F21 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ BUB1B O60566 1/20 0.34
▸ RET P07949 1/20 0.34
▸ WEE1 P30291 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ HTR7 P34969 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL24310343 0.92 MAP4K1 (0.43) MAP4K1RAD52BRD4JAK2JAK1
SCHEMBL29567227 0.92 MAP4K1 (0.43) MAP4K1RAD52BRD4JAK2JAK1
SCHEMBL29566685 0.90 ALDH1A1 (0.37) MAP4K1RAD52BRD4SMN1; SMN2MAPT
SCHEMBL24310087 0.90 ALDH1A1 (0.37) MAP4K1RAD52BRD4SMN1; SMN2MAPT
SCHEMBL26810055 0.90 ALDH1A1 (0.37) MAP4K1RAD52BRD4SMN1; SMN2MAPT
SCHEMBL26810039 0.90 CA12 (0.36) MAP4K1RAD52BRD4JAK1JAK3
SCHEMBL26812314 0.90 KMT2A (0.40) SMN1; SMN2MAPTTSHR
SCHEMBL26810036 0.89 BRD4 (0.36) MAP4K1RAD52BRD4HTR7HTR1A
SCHEMBL26810000 0.89 MAP4K1 (0.41) MAP4K1RAD52BRD4JAK2JAK1
SCHEMBL26810274 0.89 BRD4 (0.36) MAP4K1RAD52BRD4JAK2RET

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 MAP4K1 3678/4885RAD52 4705/4885BRD4 1716/4885

“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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