SCHEMBL18965883

SCHEMBL18965883

Cn1nc(Nc2ccc3nc(NCc4ccc(Oc5ncc(Cl)cn5)cc4F)n(C)c3c2)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
BRAF P15056 6/20 0.34
RAF1 P04049 2/20 0.34
TEK Q02763 1/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 1/20 0.33
MCHR1 Q99705 1/20 0.33
PTGES O14684 6/20 0.32

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
SCHEMBL17488049 0.93 MAPT (0.34) KDRTP53GAASMN1; SMN2BRAF
SCHEMBL17488024 0.89 NPC1 (0.39) KDRTP53GAASMN1; SMN2NPC1
SCHEMBL17488052 0.86 BRAF (0.33) KDRTP53GAABRAFRAF1
SCHEMBL18965884 0.83 LMNA (0.39) TP53GAASMN1; SMN2NPC1RAB9A
SCHEMBL17488323 0.82 MCHR1 (0.40) KDRTP53POLBGAANPC1
SCHEMBL17488048 0.81 MCHR1 (0.38) KDRSMN1; SMN2BRAFRAF1TEK
SCHEMBL18965822 0.80 CYP3A4 (0.45) KDRSMN1; SMN2NPC1RAB9AMCHR1
SCHEMBL17488051 0.80 MAPK1 (0.37) KDRTP53GAASMN1; SMN2NPC1
SCHEMBL18960449 0.80 GAA (0.42) TP53POLBGAASMN1; SMN2NPC1
SCHEMBL18965857 0.79 TP53 (0.37) TP53POLBGAASMN1; SMN2NPC1

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 KDR 2470/4885TP53 2004/4885POLB 2562/4885

“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.