SCHEMBL10313618

SCHEMBL10313618

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.37
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
AMY1A P0DUB6 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDR P35968 1/20 0.32
GAA P10253 2/20 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
SCHEMBL10275894 0.94 PI4KA (0.36) XDHMAPTPI4KAPI4K2BPI4K2A
SCHEMBL10276444 0.86 KIF11 (0.36) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL10313627 0.84 GRM5 (0.36) MAPTPOLBPI4KAPI4K2BPI4K2A
SCHEMBL10275825 0.80 GRM5 (0.36) MAPTPOLBPI4KAPI4K2BPI4K2A
SCHEMBL10275402 0.78 CYP1A1 (0.35) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL10275686 0.75 ADORA2A (0.42) MAPTPOLBGAAMAPK1
SCHEMBL10275364 0.74 RAB9A (0.33) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL10276120 0.70 GLA (0.34) MAPTPOLBKDRGRM5
SCHEMBL10313626 0.69 CRHR1 (0.37) MAPTPOLBPI4KAPI4K2BPI4K2A
SCHEMBL12826364 0.68 KMT2A (0.33) MAPTMEN1KMT2AAMY1APKM

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 XDH 8/4885MAPT 750/4885POLB 972/4885

“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.