SCHEMBL3303208

SCHEMBL3303208

COc1ccc(CNc2nc3c(c(=O)n2-c2ccccc2)CN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 14/20 0.51
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NTRK1 P04629 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL3300847 0.95 PRLHR (0.51) PRLHRPDE5A
SCHEMBL3297793 0.93 PRLHR (0.50) PRLHR
SCHEMBL3296941 0.91 PRLHR (0.50) PRLHRMAPTLMNATP53ALDH1A1
SCHEMBL3294300 0.90 PRLHR (0.46) PRLHRMAPTLMNATP53ALDH1A1
SCHEMBL3295383 0.89 PRLHR (0.49) PRLHRMAPTLMNATP53ALDH1A1
SCHEMBL3300072 0.89 PRLHR (0.53) PRLHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3299804 0.88 LMNA (0.50) PRLHRMAPTLMNASMN1; SMN2
SCHEMBL3299646 0.88 PRLHR (0.49) PRLHRLMNAALDH1A1NPSR1PDE5A
SCHEMBL3299870 0.88 CDK1 (0.52) PRLHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3296546 0.87 PRLHR (0.46) PRLHRMAPTLMNAALDH1A1

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 2514/4885LMNA 510/4885

“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.