SCHEMBL3299646

SCHEMBL3299646

COc1ccc(CNc2nc3c(c(=O)n2-c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 16/20 0.49
CLPP Q16740 1/20 0.40
PDE5A O76074 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3296948 0.93 PRLHR (0.44) PRLHRCLPPPDE5AKDM4EALDH1A1
SCHEMBL3297279 0.92 PRLHR (0.49) PRLHRCLPPPDE5AKDM4EALDH1A1
SCHEMBL3296546 0.92 PRLHR (0.46) PRLHRCLPPKDM4EALDH1A1L3MBTL1
SCHEMBL3300421 0.91 PRLHR (0.50) PRLHRCLPPPDE5AKDM4EALDH1A1
SCHEMBL3297480 0.90 PRLHR (0.49) PRLHRCLPPPDE5AKDM4EALDH1A1
SCHEMBL3296941 0.90 PRLHR (0.50) PRLHRCLPPPDE5AKDM4EALDH1A1
SCHEMBL3300847 0.89 PRLHR (0.51) PRLHRPDE5A
SCHEMBL3299572 0.89 PRLHR (0.49) PRLHRCLPPPDE5AKDM4EALDH1A1
SCHEMBL3298287 0.89 PRLHR (0.51) PRLHRCLPPPDE5AKDM4EALDH1A1
SCHEMBL3303208 0.88 PRLHR (0.51) PRLHRPDE5AALDH1A1NPSR1LMNA

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 3093/4885CLPP 4670/4885PDE5A 2992/4885

“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.