SCHEMBL8989239

SCHEMBL8989239

Cc1nc(CO)c(C)n1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL9274616 0.79 KDM4E (0.33) KDM4EALDH1A1CYP2C19
SCHEMBL12344036 0.78 GAA (0.34)
SCHEMBL16998700 0.76
SCHEMBL13316178 0.74 NOS2 (0.34)
SCHEMBL13339952 0.73 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL11081273 0.73 KDM4E (0.36) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3421090 0.73 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL26937759 0.71 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL6128318 0.71
SCHEMBL8989206 0.70 AGTR1 (0.34)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP KDM4E 3841/4885ALDH1A1 577/4885CYP2C19 32/4885

“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.