SCHEMBL10275636

SCHEMBL10275636

N#Cc1ccc(-c2cc(=O)n3nc(-c4ccccc4)c(-c4ccc(F)cc4F)cc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.43
ADORA2A P29274 2/20 0.43
AR P10275 1/20 0.41
MAPT P10636 5/20 0.41
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
KMT2A Q03164 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A3 P47895 1/20 0.39
POLB P06746 2/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRG2 P18507 1/20 0.37

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
SCHEMBL10275985 0.90 MAPT (0.46) ADORA1ADORA2AARMAPTTP53
SCHEMBL10276001 0.88 AR (0.38) ADORA1ADORA2AARMAPTTP53
SCHEMBL10275992 0.85 TP53 (0.44) MAPTTP53THRBKDM4EALDH1A1
SCHEMBL10275338 0.85 AR (0.43) ARMAPTTP53THRBKDM4E
SCHEMBL10275813 0.84 AR (0.42) ARMAPTTP53KDM4EALDH1A1
SCHEMBL10275238 0.83 AR (0.41) ARMAPTKDM4EALDH1A1HPGD
SCHEMBL10276046 0.82 AR (0.41) ADORA1ADORA2AARMAPTKDM4E
SCHEMBL10313596 0.77 KDM4E (0.47) ADORA1ADORA2AARMAPTTP53
SCHEMBL10276133 0.76 AR (0.36) ARTP53GABRG2GABRB3
SCHEMBL10275610 0.74 PLAT (0.42) ADORA1ADORA2AARKDM4EALDH1A1

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 11/4885ADORA2A 15/4885AR 3221/4885

“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.