SCHEMBL19813042

SCHEMBL19813042

Cc1n[nH]cc1-c1cnc(N)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.42
LRRK2 Q5S007 1/20 0.38
ALOX5AP P20292 1/20 0.35
FYN P06241 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MAP4K4 O95819 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
SCHEMBL25342466 0.81 VRK1 (0.31)
SCHEMBL4022386 0.72 TDO2 (0.43) LRRK2ALOX5APNOS3NOS2MAP4K4
SCHEMBL16679603 0.71 NOS3 (0.46) HTTKMT2AALOX5APFYNNOS3
SCHEMBL15750831 0.71 NNMT (0.45) HTTKMT2AFYNNOS3NOS1
SCHEMBL17629300 0.71 NPC1 (0.32)
SCHEMBL16679602 0.69 FYN (0.43) HTTKMT2AALOX5APFYNMAP4K4
SCHEMBL8390535 0.69 MAPT (0.48)
SCHEMBL1978092 0.67 SMN1; SMN2 (0.43) HTTKMT2A
SCHEMBL17785560 0.67 KDR (0.39) FYN
SCHEMBL25344261 0.67 CRHR1 (0.31)

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-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 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-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 HTT 4048/4885KMT2A 431/4885LRRK2 620/4885

“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.