SCHEMBL3299581

SCHEMBL3299581

O=C(Nc1ccc(Cl)cc1Cl)N1CCc2nc(NCCc3ccccc3)n(-c3ccccc3)c(=O)c2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
PRLHR P49683 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CACNA1G O43497 2/20 0.39
BRD3 Q15059 1/20 0.38
MAPK1 P28482 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MGAT2 Q10469 1/20 0.37
PREP P48147 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL3297975 0.92 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MAPTKMT2A
SCHEMBL3297388 0.91 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MAPTKMT2A
SCHEMBL3296502 0.90 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MAPTKMT2A
SCHEMBL3297280 0.90 PRLHR (0.51) TAS1R3TAS1R1TAS1R2MAPTKMT2A
SCHEMBL3297705 0.88 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MAPTKMT2A
SCHEMBL3303626 0.87 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MAPTKMT2A
SCHEMBL3296553 0.87 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MAPTPRLHR
SCHEMBL3300080 0.87 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MAPTKMT2A
SCHEMBL3298327 0.87 MRGPRX4 (0.49) TAS1R3TAS1R1TAS1R2MAPTKMT2A
SCHEMBL3300196 0.87 PRLHR (0.48) TAS1R3TAS1R1TAS1R2MAPTKMT2A

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.