SCHEMBL10276257

SCHEMBL10276257

Cc1c(-c2ccc(C#N)cc2)n(C)c2c(-c3ccc(F)cc3F)c(-c3ccccc3)nn2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
KDM1A O60341 1/20 0.38
MAT2A P31153 2/20 0.38
ADORA2A P29274 1/20 0.38
NSD2 O96028 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 1/20 0.36
PTGER1 P34995 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34

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
SCHEMBL10275293 0.88 KDM1A (0.39) KDM1ANSD2FNTAFNTBPGGT1B
SCHEMBL10275439 0.86 KDM4E (0.40) ADORA1KDM1AMAT2APTGER1NPC1
SCHEMBL10275294 0.85 KDM1A (0.37) KDM1ANSD2FNTAFNTBPGGT1B
SCHEMBL10313845 0.85 ARF6 (0.39) KDM1ANSD2FNTAFNTBPGGT1B
SCHEMBL10313576 0.84 ADORA1 (0.40) ADORA1KDM1AMAT2AADORA2ANSD2
SCHEMBL10275454 0.83 KDM1A (0.41) KDM1ANSD2FNTAFNTBPGGT1B
SCHEMBL10275641 0.80 PLAT (0.40) ADORA1KDM1AADORA2AALDH1A1ATM
SCHEMBL10276067 0.75 PGR (0.39) ADORA1ADORA2ANPC1RAB9AMEN1
SCHEMBL10276044 0.75 PLAT (0.40) ADORA1ADORA2AALDH1A1NPC1RAB9A
SCHEMBL10275608 0.74 ADORA1 (0.42) ADORA1KDM1AADORA2ANSD2NPC1

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 3 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
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 11/4885KDM1A 3996/4885MAT2A 517/4885

“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.