SCHEMBL24040607

SCHEMBL24040607

CSc1nccn(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.40
BRD4 O60885 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
FDPS P14324 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SCD O00767 1/20 0.32
C1S P09871 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL13074739 0.71
SCHEMBL12143828 0.70
SCHEMBL17327411 0.70
SCHEMBL926804 0.70
SCHEMBL925870 0.70
SCHEMBL13181196 0.70
SCHEMBL762945 0.69
SCHEMBL15934910 0.67 LPO (0.40) LPOBRD4NPSR1KDM4EHTT
SCHEMBL13939837 0.67 LPO (0.40) LPOBRD4NPSR1HTTRAB9A
SCHEMBL13058506 0.67 LPO (0.40) LPOBRD4NPSR1KDM4EHTT

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-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 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-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 LPO 3291/4885BRD4 1525/4885NPSR1 2908/4885

“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.