SCHEMBL17488048

SCHEMBL17488048

CCC(Nc1nc2ccc(Nc3cc(C(F)(F)F)n(C)n3)cc2n1C)c1ccc(Oc2ncc(Cl)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
KDR P35968 6/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
BRAF P15056 6/20 0.33
RAF1 P04049 2/20 0.33
RORC P51449 3/20 0.32
TEK Q02763 1/20 0.32
MAP3K8 P41279 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
IDH1 O75874 1/20 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
SCHEMBL17488318 0.93 MCHR1 (0.42) MCHR1KDRBRAFRAF1TEK
SCHEMBL17488317 0.88 MCHR1 (0.37) MCHR1KDRATP1A1ATP1B1ATP1A3
SCHEMBL17488321 0.86 MCHR1 (0.38) MCHR1KDRBRAFRAF1RORC
SCHEMBL17488024 0.85 NPC1 (0.39) MCHR1KDRBRAFRAF1TEK
SCHEMBL17488053 0.83 MCHR1 (0.40) MCHR1KDRBRAFRAF1TEK
SCHEMBL17487848 0.82 EGFR (0.37) MCHR1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL17488328 0.82 MCHR1 (0.35) MCHR1KDRATP1A1ATP1B1ATP1A3
SCHEMBL18965884 0.81 LMNA (0.39) MAPTSMN1; SMN2NPSR1
SCHEMBL17488065 0.81 MCHR1 (0.35) MCHR1KDRATP1A1ATP1B1ATP1A3
SCHEMBL18965883 0.81 KDR (0.35) MCHR1KDRBRAFRAF1TEK

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 MCHR1 2605/4885KDR 2470/4885ATP1A1 2225/4885

“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.