SCHEMBL3299790

SCHEMBL3299790

COc1ccc(CNc2nc3c(c(=O)n2-c2ccccc2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
PRLHR P49683 7/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PDE10A Q9Y233 2/20 0.42
ACHE P22303 1/20 0.41
KDR P35968 1/20 0.41
CLPP Q16740 1/20 0.41
LIPE Q05469 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
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
SCHEMBL3300072 0.93 PRLHR (0.53) RECQLALDH1A1MAPTPRLHRNPC1
SCHEMBL3301167 0.92 PRLHR (0.48) RECQLALDH1A1MAPTPRLHRNPC1
SCHEMBL3301087 0.92 RECQL (0.47) RECQLALDH1A1MAPTPRLHRNAMPT
SCHEMBL17358374 0.91 RECQL (0.48) RECQLALDH1A1MAPTPRLHRNPC1
SCHEMBL3299059 0.90 PRLHR (0.49) RECQLALDH1A1MAPTPRLHRNAMPT
SCHEMBL3301556 0.90 PRLHR (0.43) RECQLALDH1A1MAPTPRLHRCLPP
SCHEMBL3298474 0.88 PRLHR (0.45) RECQLALDH1A1MAPTPRLHRNPC1
SCHEMBL3297966 0.88 PRLHR (0.45) RECQLALDH1A1MAPTPRLHRNAMPT
SCHEMBL3297467 0.88 PRLHR (0.45) RECQLALDH1A1MAPTPRLHRNPC1
SCHEMBL3299804 0.88 LMNA (0.50) RECQLMAPTPRLHRKDR

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 RECQL 1541/4885ALDH1A1 2534/4885MAPT 2514/4885

“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.