SCHEMBL3295357

SCHEMBL3295357

O=C(Nc1ccc(F)c(F)c1)N1CCc2nc(NCc3cccc(Cl)c3)n(-c3ccccc3)c(=O)c2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.43
CLPP Q16740 3/20 0.42
PRLHR P49683 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL3296928 0.94 CLPP (0.43) CACNA1HCLPPPRLHR
SCHEMBL3297401 0.93 CLPP (0.41) CLPPPRLHRFAAH
SCHEMBL3296703 0.92 PRLHR (0.49) CACNA1HCLPPPRLHRMAPT
SCHEMBL3298232 0.92 NAMPT (0.40) CACNA1HCLPPPRLHR
SCHEMBL3303714 0.92 CLPP (0.40) CLPPPRLHR
SCHEMBL3300262 0.92 CLPP (0.40) CLPPPRLHRFAAH
SCHEMBL3294275 0.91 CLPP (0.39) CLPP
SCHEMBL3295196 0.90 PRLHR (0.43) CLPPPRLHRNPC1RAB9AFAAH
SCHEMBL3297983 0.90 NPC1 (0.42) PRLHRNPC1RAB9AKDM4EMAPT
SCHEMBL3297276 0.89 MAPK1 (0.38)

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 CACNA1H 1505/4885CLPP 4670/4885PRLHR 3093/4885

“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.