SCHEMBL3296553

SCHEMBL3296553

O=C(Nc1ccc(Cl)cc1Cl)N1CCc2nc(NCc3cccc(F)c3)n(-c3ccccc3)c(=O)c2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TAS1R2 Q8TE23 2/20 0.45
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
PRLHR P49683 4/20 0.42
CLPP Q16740 1/20 0.40
EPHX2 P34913 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
DPP4 P27487 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CACNA1G O43497 1/20 0.37
SLC26A4 O43511 1/20 0.37
PDE5A O76074 1/20 0.36

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
SCHEMBL3296502 0.94 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2PRLHRCLPP
SCHEMBL3297975 0.93 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2PRLHRCLPP
SCHEMBL3299046 0.93 PRLHR (0.46) TAS1R3TAS1R1TAS1R2CSNK1DCSNK1E
SCHEMBL3297705 0.92 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2CSNK1DCSNK1E
SCHEMBL3300080 0.91 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2PRLHRCLPP
SCHEMBL3298327 0.91 MRGPRX4 (0.49) TAS1R3TAS1R1TAS1R2PRLHRCLPP
SCHEMBL3297280 0.91 PRLHR (0.51) TAS1R3TAS1R1TAS1R2PRLHRCLPP
SCHEMBL3297659 0.89 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2PRLHR
SCHEMBL3299362 0.89 PRLHR (0.45) TAS1R3TAS1R1TAS1R2PRLHRKDM4E
SCHEMBL3300196 0.88 PRLHR (0.48) TAS1R3TAS1R1TAS1R2PRLHRCLPP

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-8232282-B2 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2078719-A1 COMPOUND HAVING BICYCLIC PYRIMIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-07-15 EP 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-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same GART, MGAT2, MGAT1 TAS1R3 2368/4885TAS1R1 1714/4885TAS1R2 2417/4885

“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.