SCHEMBL3071432

SCHEMBL3071432

O=C(O)c1nc2c(C(F)(F)F)cc(-c3ncc[nH]3)cn2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMO O15229 4/20 0.35
BRD4 O60885 1/20 0.34
BRAF P15056 2/20 0.33
KDR P35968 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
MTOR P42345 1/20 0.31
ADK P55263 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
PPARG P37231 1/20 0.30
RORC P51449 1/20 0.30
MAPT P10636 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
EGLN1 Q9GZT9 2/20 0.30

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
SCHEMBL3058679 0.88 KDM4E (0.43) KDM4EALDH1A1BRD4BRAFKDR
SCHEMBL3689283 0.80 NT5E (0.35) ALDH1A1KMOPPARGRORCMAPT
SCHEMBL3787142 0.80 KMO (0.36) KMOKDR
SCHEMBL3688781 0.80 CMA1 (0.38) KMOEGLN1
SCHEMBL3689623 0.79 LDHA (0.43) KDM4EALDH1A1KMORORCMAPT
SCHEMBL3686990 0.79 RORC (0.35) KMOPPARGRORCMAPTKDM2B
SCHEMBL13229185 0.78 MAPT (0.34) KMOKDRMAPTKDM2BKDM4C
SCHEMBL3685937 0.78 NOTUM (0.49) KMO
SCHEMBL3693899 0.78 KMO (0.32) KMOPPARGRORCMAPTKDM2B
SCHEMBL3692564 0.77 MARS1 (0.39) KMO

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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 KDM4E 3581/4885ALDH1A1 1772/4885KMO 4113/4885

“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.