SCHEMBL3299362

SCHEMBL3299362

COc1cccc(CNc2nc3c(c(=O)n2-c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2Cl)CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 6/20 0.45
CACNA1G O43497 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 1/20 0.42
PDE5A O76074 1/20 0.42
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
FPR1 P21462 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3300421 0.93 PRLHR (0.50) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3300762 0.92 PRLHR (0.49) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3296502 0.92 TAS1R3 (0.47) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3297975 0.91 TAS1R3 (0.49) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3300080 0.91 TAS1R3 (0.45) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3300088 0.90 PRLHR (0.50) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3297705 0.90 TAS1R3 (0.45) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3298327 0.89 MRGPRX4 (0.49) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3296553 0.89 TAS1R3 (0.45) PRLHRCACNA1GTAS1R3TAS1R1TAS1R2
SCHEMBL3297255 0.89 PRLHR (0.52) PRLHRTAS1R3TAS1R1TAS1R2ALDH1A1

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 PRLHR 3093/4885CACNA1G 1844/4885TAS1R3 2368/4885

“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.