SCHEMBL18291364

SCHEMBL18291364

CC(C)(C)OC(=O)N1CCCC12CN(c1ccc(N)nc1)C2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.52
RET P07949 5/20 0.43
SPR P35270 2/20 0.41
NAMPT P43490 5/20 0.39
CNR2 P34972 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL18291332 0.93 JAK3 (0.47) JAK3RETNAMPTGPR119
SCHEMBL30558296 0.88 JAK3 (0.46) JAK3RETGPR119
SCHEMBL20839065 0.88 JAK3 (0.46) JAK3RETGPR119
SCHEMBL18291330 0.82 EIF2AK4 (0.45) RETNAMPT
SCHEMBL30664043 0.80 CYP3A4 (0.47) NAMPTGPR119
SCHEMBL18291310 0.80 CYP3A4 (0.47) NAMPTGPR119
SCHEMBL30419374 0.80 NR1H2 (0.42) JAK3GPR119
SCHEMBL1990092 0.80 NR1H2 (0.42) JAK3GPR119
SCHEMBL18291717 0.80 CDK4 (0.50) JAK3SPRNAMPTGRIN2BGRIN2C
SCHEMBL18291321 0.79 CYP11B2 (0.51) SPRNAMPTGPR119

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO 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 JAK3 50/4885RET 577/4885SPR 2952/4885

“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.