SCHEMBL18965792

SCHEMBL18965792

CCC(Nc1nc2ccc(Nc3cc(C)[nH]n3)cc2n1C)c1ccc(Oc2ncc(C(F)(F)F)cn2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
BRAF P15056 10/20 0.39
KDR P35968 4/20 0.39
RAF1 P04049 2/20 0.39
DHODH Q02127 1/20 0.38
TEK Q02763 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
NTRK1 P04629 1/20 0.34
CYP3A4 P08684 1/20 0.34
LCK P06239 2/20 0.33
STK25 O00506 1/20 0.33
CIT O14578 1/20 0.33
EPHB6 O15197 1/20 0.33
MAP3K7 O43318 1/20 0.33
RIPK2 O43353 1/20 0.33
PAK3 O75914 1/20 0.33
STK10 O94804 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL18965825 0.91 JAK2 (0.35) MCHR1BRAFKDRRAF1JAK2
SCHEMBL17488326 0.90 MCHR1 (0.43) MCHR1BRAFKDRRAF1DHODH
SCHEMBL17488053 0.86 MCHR1 (0.40) MCHR1BRAFKDRRAF1TEK
SCHEMBL17488245 0.81 MCHR1 (0.40) MCHR1BRAFKDRRAF1TEK
SCHEMBL17487841 0.81 DHODH (0.43) MCHR1BRAFKDRRAF1DHODH
SCHEMBL17487848 0.80 EGFR (0.37) MCHR1BRAFJAK2JAK3NTRK1
SCHEMBL18965823 0.79 NTRK1 (0.46) BRAFKDRRAF1DHODHJAK2
SCHEMBL17488325 0.77 DHODH (0.42) MCHR1BRAFKDRRAF1DHODH
SCHEMBL17488318 0.76 MCHR1 (0.42) MCHR1BRAFKDRRAF1TEK
SCHEMBL17488026 0.73 NTRK1 (0.47) BRAFKDRRAF1DHODHJAK2

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 1 patent. 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

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 2605/4885BRAF 3269/4885KDR 2470/4885

“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.