SCHEMBL3580658

SCHEMBL3580658

CNc1ncccc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
ESRRG P62508 2/20 0.36
ESRRB O95718 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ATM Q13315 1/20 0.36
KDR P35968 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
C5AR1 P21730 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3581747 0.89 CCR9 (0.39) RAF1MAP2K1MEN1KMT2ANR1H4
SCHEMBL3583661 0.89 BTK (0.41) RAF1MAP2K1MEN1KMT2ANR1H4
SCHEMBL3575452 0.89 KMT2A (0.42) RAF1MAP2K1MEN1KMT2ANR1H4
SCHEMBL3573203 0.88 RAF1 (0.40) RAF1MAP2K1MEN1KMT2ANR1H4
SCHEMBL3576692 0.87 ESRRG (0.37) NR1H4ESRRGESRRBOPRM1OPRD1
SCHEMBL3582883 0.87 RAF1 (0.40) RAF1MAP2K1MEN1KMT2ANR1H4
SCHEMBL3580374 0.86 ESRRG (0.36) NR1H4ESRRGESRRBOPRM1OPRD1
SCHEMBL3584126 0.85 ESRRG (0.36) NR1H4ESRRGESRRBOPRM1OPRD1
SCHEMBL3574285 0.85 ESRRG (0.36) NR1H4ESRRGESRRBOPRM1OPRD1
SCHEMBL3587153 0.85 ESRRG (0.36) NR1H4ESRRGESRRBOPRM1OPRD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC RAF1 2248/4885MAP2K1 2262/4885MEN1 1293/4885

“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.