SCHEMBL10313596

SCHEMBL10313596

Cc1nn2c(=O)cc(-c3ccc(C#N)cc3)nc2cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A3 P47895 2/20 0.44
LMNA P02545 2/20 0.44
RAD51 Q06609 1/20 0.43
MAPT P10636 3/20 0.42
AR P10275 2/20 0.42
EGLN2 Q96KS0 1/20 0.42
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL10313497 0.92 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10276212 0.89 SLC22A12 (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10275985 0.83 MAPT (0.46) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL10276110 0.82 DPP4 (0.45) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL10275338 0.82 AR (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10275636 0.77 ADORA1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL10275924 0.76 RAD51 (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12826358 0.74 KDM4E (0.47) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL25975072 0.74 MAPT (0.56) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10313513 0.74 RAD51 (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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 KDM4E 3483/4885NPC1 1381/4885RAB9A 3784/4885

“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.