SCHEMBL20249294

SCHEMBL20249294

CC(C)(C)c1ccc(OCC2CNC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
MKNK1 Q9BUB5 2/20 0.34
KDM1A O60341 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL20249274 0.76 SLC6A2 (0.37)
SCHEMBL20038208 0.76 MKNK1 (0.36) EP300MKNK1KDM1ACHRNB2CHRNA4
SCHEMBL18291461 0.76 BCAT2 (0.39) EP300MKNK1KDM1ACHRNB2CHRNA4
SCHEMBL20249296 0.76 CHRNB2 (0.41) KDM1ACHRNB2CHRNA4
SCHEMBL18291665 0.76 CHRNB2 (0.35) MKNK1KDM1ACHRNB2CHRNA4IRAK4
SCHEMBL14174627 0.73 MAPT (0.43)
SCHEMBL20249281 0.71
SCHEMBL20249279 0.69 CHRNB2 (0.41) MKNK1CHRNB2CHRNA4
SCHEMBL13094485 0.68 NNMT (0.41)
SCHEMBL29303910 0.68 TP53 (0.46) EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 EP300 1010/4885MKNK1 1165/4885KDM1A 1231/4885

“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.