SCHEMBL18965308

SCHEMBL18965308

Cc1cc(Nc2ccc3nc(NCc4ccc(Oc5ccc(C(F)(F)F)cn5)cc4)n(C)c3c2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
NTRK1 P04629 3/20 0.43
BRAF P15056 2/20 0.42
RAF1 P04049 1/20 0.42
KDR P35968 1/20 0.42
MCHR1 Q99705 2/20 0.41
BRD4 O60885 1/20 0.41
P2RX3 P56373 2/20 0.39
SCN7A Q01118 2/20 0.38
KCNH2 Q12809 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SCN9A Q15858 3/20 0.37
PLK4 O00444 1/20 0.37

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
SCHEMBL18965980 0.91 NTRK1 (0.47) DHODHNTRK1BRAFRAF1KDR
SCHEMBL17487841 0.91 DHODH (0.43) DHODHNTRK1BRAFRAF1KDR
SCHEMBL17488023 0.88 CYP3A4 (0.47) NTRK1P2RX3NPC1RAB9APLK4
SCHEMBL17487531 0.85 PLK4 (0.41) NTRK1KDRP2RX3NPC1RAB9A
SCHEMBL17488026 0.83 NTRK1 (0.47) DHODHNTRK1BRAFRAF1KDR
SCHEMBL17488325 0.83 DHODH (0.42) DHODHNTRK1BRAFRAF1KDR
SCHEMBL18960418 0.82 NPC1 (0.44) MCHR1SCN7AKCNH2TP53GAA
SCHEMBL17487528 0.82 PLK4 (0.41) NTRK1KDRNPC1RAB9APLK4
SCHEMBL17488243 0.81 PLK4 (0.42) NTRK1KDRMAPTNPC1RAB9A
SCHEMBL17488253 0.80 SCN9A (0.46) MCHR1SCN7AKCNH2SCN9A

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 DHODH 985/4885NTRK1 1236/4885BRAF 3269/4885

“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.