SCHEMBL3300656

SCHEMBL3300656

COc1ccc(CNc2nc3c(c(=O)n2-c2ccc(Cl)cc2)CN(C(=O)Nc2ccc(F)c(F)c2)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 12/20 0.52
MAPT P10636 2/20 0.42
PDE5A O76074 1/20 0.40
SLC26A4 O43511 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3298991 0.97 PRLHR (0.47) PRLHRMAPTPDE5AMEN1ALDH1A1
SCHEMBL3297673 0.95 PRLHR (0.45) PRLHRMAPTMEN1ALDH1A1KMT2A
SCHEMBL3294298 0.94 PRLHR (0.45) PRLHRMAPTALDH1A1
SCHEMBL3298426 0.94 PRLHR (0.44) PRLHRMAPTPDE5AALDH1A1
SCHEMBL3303968 0.94 PRLHR (0.44) PRLHRMAPTPDE5AMEN1ALDH1A1
SCHEMBL3298474 0.93 PRLHR (0.45) PRLHRMAPTPDE5AALDH1A1NPSR1
SCHEMBL3298674 0.93 PRLHR (0.47) PRLHRMAPTPDE5ASLC26A4ALDH1A1
SCHEMBL3296511 0.92 PRLHR (0.43) PRLHRMAPTMEN1ALDH1A1KMT2A
SCHEMBL3300101 0.91 PRLHR (0.44) PRLHRMAPTALDH1A1
SCHEMBL3298754 0.91 PRLHR (0.45) PRLHRMAPTPDE5ASLC26A4ALDH1A1

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 3093/4885MAPT 2514/4885PDE5A 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.