SCHEMBL10275664

SCHEMBL10275664

N#Cc1ccc(-c2c(-c3ccc(F)cc3F)nc3[nH]c(N)cc(=O)n23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
NSD2 O96028 1/20 0.40
ADORA2A P29274 1/20 0.40
KDM1A O60341 2/20 0.40
AR P10275 1/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MAPK14 Q16539 3/20 0.34
KCNH2 Q12809 2/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
TGFBR1 P36897 1/20 0.34
GCGR P47871 2/20 0.33
ALOX5 P09917 2/20 0.33
EGLN2 Q96KS0 2/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33

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
SCHEMBL10275347 0.92 ADORA1 (0.40) ADORA1NSD2ADORA2AKDM1AAR
SCHEMBL10275958 0.89 KDM1A (0.39) ADORA1NSD2ADORA2AKDM1AAR
SCHEMBL12826486 0.86 KDM1A (0.37) ADORA1NSD2ADORA2AKDM1AAR
SCHEMBL10275601 0.85 MAPK13 (0.40) ADORA1ADORA2AMAPK14KCNH2MAPK13
SCHEMBL10313670 0.84 MAPK14 (0.34) ADORA1ADORA2AMAPK14KCNH2MAPK13
SCHEMBL10276567 0.83 GCGR (0.38) ADORA1NSD2KDM1AARMAPK14
SCHEMBL10275998 0.81 AR (0.39) ADORA1NSD2ADORA2AKDM1AAR
SCHEMBL10275533 0.80 KIF11 (0.43) NSD2KDM1AKCNH2
SCHEMBL10276237 0.79 KDM1A (0.37) ADORA1NSD2KDM1AARPDE3B
SCHEMBL10275735 0.79 MDM2 (0.40) KDM1AAR

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 2 patents. 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 claimed
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 ADORA1 11/4885NSD2 3880/4885ADORA2A 15/4885

“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.