SCHEMBL31714751

SCHEMBL31714751

CSc1nc(Cl)c2c(C#N)n[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA13 Q8N1Q1 3/20 0.34
HSP90AB1 P08238 5/20 0.34
KCNH2 Q12809 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
SCHEMBL31714660 0.79 PPARG (0.32) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1950195 0.77 PPARG (0.32) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL29994429 0.75 HSP90AB1 (0.34) HSP90AB1
SCHEMBL28889638 0.75 HSP90AB1 (0.34) HSP90AB1
SCHEMBL14421907 0.71 CHUK (0.61) CYP1A2CYP2C9CYP2C19KMT2AHSP90AB1
SCHEMBL6165758 0.71 KMT2A (0.44) CYP1A2CYP2C9CYP2C19KMT2ACA1
SCHEMBL14019129 0.69 KDM4E (0.48) CYP1A2CYP2C9CYP2C19KMT2AHSP90AB1
SCHEMBL4020027 0.69 HTR2A (0.33) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL2132489 0.68 KMT2A (0.60) CYP1A2CYP2C9CYP2C19KMT2ACA1
SCHEMBL30048232 0.68 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19KMT2ACA1

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-20250333424-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2025-10-30 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-20250333424-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 CYP1A2 4041/4885CYP2C9 2850/4885CYP2C19 3152/4885

“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.