SCHEMBL3299107

SCHEMBL3299107

COc1ccc(CNc2nc3c(c(=O)n2-c2ccccc2)CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.47
TLR9 Q9NR96 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.42
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CLPP Q16740 1/20 0.41
PRLHR P49683 2/20 0.40
SLC2A1 P11166 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
SCHEMBL3297765 0.93 PRLHR (0.47) P2RX3TLR9MAPTLMNASMN1; SMN2
SCHEMBL22410813 0.90 P2RX3 (0.46) P2RX3TLR9MAPTLMNASMN1; SMN2
SCHEMBL3298016 0.83 PRLHR (0.47) MAPTSMN1; SMN2PRLHRSLC2A1
SCHEMBL3298271 0.82 PRLHR (0.47) MAPTKDM4ECLPPPRLHR
SCHEMBL29579743 0.81 ALDH1A1 (0.46) P2RX3MAPTKDM4EPARP1TNKS2
SCHEMBL28669319 0.81 CLPP (0.44) MAPTLMNATP53CLPPPRLHR
SCHEMBL3301167 0.79 PRLHR (0.48) MAPTCLPPPRLHR
SCHEMBL29579602 0.79 MAPT (0.48) P2RX3MAPTLMNASMN1; SMN2TP53
SCHEMBL22424056 0.79 CLPP (0.56) P2RX3MAPTLMNASMN1; SMN2KDM4E
SCHEMBL3297764 0.77 PRLHR (0.70) MAPTCLPPPRLHR

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 P2RX3 1321/4885TLR9 1181/4885MAPT 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.