SCHEMBL3058679

SCHEMBL3058679

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK8 P45983 2/20 0.37
NOTUM Q6P988 3/20 0.36
BRD4 O60885 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
LDHA P00338 1/20 0.34
ABL1 P00519 1/20 0.33
KDR P35968 3/20 0.33
BRAF P15056 2/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
AKT1 P31749 2/20 0.31
AKT2 P31751 2/20 0.31
MAPT P10636 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
SCHEMBL3071432 0.88 KDM4E (0.38) KDM4EALDH1A1BRD4KDRBRAF
SCHEMBL3058542 0.79 NOTUM (0.39) KDM4EALDH1A1NOTUMLDHAL3MBTL1
SCHEMBL1583640 0.78 NOTUM (0.41) KDM4EALDH1A1NOTUMLDHAKDR
SCHEMBL3074208 0.78 CFTR (0.48) KDM4EALDH1A1NOTUMLDHA
SCHEMBL1583465 0.78 NOTUM (0.42) KDM4EALDH1A1NOTUMLDHAMRGPRX4
SCHEMBL1584276 0.77 NOTUM (0.38) KDM4EALDH1A1NOTUMLDHALMNA
SCHEMBL1583159 0.77 NOTUM (0.40) KDM4EALDH1A1NOTUMLDHAMRGPRX4
SCHEMBL3691065 0.77 CFTR (0.40) KDM4EALDH1A1NOTUMLDHAKDR
SCHEMBL3793277 0.77 NOTUM (0.41) KDM4EALDH1A1NOTUMLDHALMNA
SCHEMBL1583734 0.77 MAPT (0.37) KDM4EALDH1A1MAPK8NOTUMLDHA

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 1772/4885MAPK8 2138/4885

“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.