SCHEMBL20249258

SCHEMBL20249258

CC(C)(C)c1ccc(N2C3CCC2CNC3)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
ROCK2 O75116 7/20 0.34
ROCK1 Q13464 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34
RET P07949 1/20 0.32
HSD11B1 P28845 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL20249259 0.81 PTPN11 (0.38) HSD11B1
SCHEMBL20038082 0.76 OPRM1 (0.44) OPRM1ROCK2ROCK1USP28USP25
SCHEMBL20037601 0.76 CHRNB2 (0.49) OPRM1ROCK2ROCK1USP28USP25
SCHEMBL18291649 0.76 OPRM1 (0.41) OPRM1ROCK2ROCK1HTR2AHTR2C
SCHEMBL7244902 0.73 OPRM1 (0.50) OPRM1HTR2AHTR2CHTR2BUSP28
SCHEMBL23215232 0.73 HTR2A (0.42) OPRM1ROCK2HTR2AHTR2CHTR2B
SCHEMBL20224116 0.73 KMT2A (0.47)
SCHEMBL18081202 0.71 HRH3 (0.47) OPRM1USP28USP25
SCHEMBL25738321 0.71 PARP1 (0.51) OPRM1USP28USP25
SCHEMBL12145921 0.70 CHRNB2 (0.58) HTR2BCHRNB2CHRNA4

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 OPRM1 4815/4885ROCK2 3168/4885ROCK1 2915/4885

“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.