SCHEMBL11942579

SCHEMBL11942579

COc1ccc(CNc2nc3c(c(=O)n2-c2ccccc2)CNCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 8/20 0.47
CLPP Q16740 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL3299788 0.99 VCP (0.47) VCPCLPPCYP3A4CYP2C9KDM4E
SCHEMBL4411317 0.92 CYP3A4 (0.45) VCPCLPPCYP3A4CYP2C9KDM4E
Hydrochloric Acid SCHEMBL3299132 0.91 CYP3A4 (0.44) VCPCLPPCYP3A4CYP2C9KDM4E
SCHEMBL22424237 0.81 TNKS (0.44) VCPCLPPCYP3A4CYP2C9KDM4E
SCHEMBL3301167 0.77 PRLHR (0.48) CLPPALDH1A1MAPT
SCHEMBL3298271 0.76 PRLHR (0.47) CLPPKDM4EALDH1A1HPGDNPSR1
SCHEMBL3297765 0.76 PRLHR (0.47) CLPPKDM4EALDH1A1HPGDNPSR1
SCHEMBL434460 0.76 PRLHR (0.55) VCPCYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL3297764 0.75 PRLHR (0.70) CLPPMAPT
SCHEMBL3299107 0.75 P2RX3 (0.47) CLPPKDM4ELMNATP53MAPT

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 5 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-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
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 VCP 4723/4885CLPP 4670/4885CYP3A4 4001/4885

“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.