SCHEMBL17488328

SCHEMBL17488328

CCC(Nc1nc2ccc(Nc3cc(C(F)F)[nH]n3)cc2n1C)c1ccc(Oc2ncc(Cl)cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
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 2/20 0.32
RAF1 P04049 1/20 0.32
KDR P35968 1/20 0.32
MAP3K8 P41279 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
SCHEMBL17488065 0.93 MCHR1 (0.35) MCHR1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL17487848 0.90 EGFR (0.37) MCHR1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL18965882 0.87 IGF1R (0.43)
SCHEMBL17488048 0.82 MCHR1 (0.38) MCHR1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL17488326 0.82 MCHR1 (0.43) MCHR1BRAFRAF1KDR
SCHEMBL18965825 0.81 JAK2 (0.35) MCHR1BRAFRAF1KDR
SCHEMBL18960462 0.79 ATP1A1 (0.40) MCHR1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL18965789 0.78 ATP1A1 (0.35) MCHR1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL17488318 0.75 MCHR1 (0.42) MCHR1BRAFRAF1KDRIDH1
SCHEMBL17488243 0.75 PLK4 (0.42) KDR

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 2605/4885ATP1A1 2225/4885ATP1B1 2020/4885

“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.