SCHEMBL10313617

SCHEMBL10313617

Cc1ccc(-n2cnc3c(=N)n(/N=C\c4ccc(C#N)cc4)cnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.35
XDH P47989 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP2A6 P11509 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
CYP11B2 P19099 6/20 0.32
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDR P35968 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL10275364 0.90 RAB9A (0.33) RAB9AKMT2AXDHALDH1A1KDM4E
SCHEMBL10276158 0.89 KIF11 (0.36) RAB9AKMT2AXDHALDH1A1GAA
SCHEMBL10276444 0.89 KIF11 (0.36) RAB9AKMT2AXDHALDH1A1GAA
SCHEMBL10313618 0.85 XDH (0.37) RAB9AKMT2AXDHMAPTLMNA
SCHEMBL10313626 0.84 CRHR1 (0.37) RAB9AKMT2AALDH1A1CYP2A6MAPT
SCHEMBL10275894 0.79 PI4KA (0.36) RAB9AKMT2AXDHALDH1A1MAPT
SCHEMBL10275922 0.77 CRHR1 (0.35) RAB9AKMT2AALDH1A1MEN1
SCHEMBL10275684 0.77 CRHR1 (0.35) RAB9AKMT2AALDH1A1MEN1
SCHEMBL10275564 0.75 MEN1 (0.42) RAB9AKMT2AALDH1A1MAPTGAA
SCHEMBL10313619 0.74 NFE2L2 (0.36) RAB9AXDHMAPT

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 RAB9A 3784/4885KMT2A 4649/4885XDH 8/4885

“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.