SCHEMBL18291332

SCHEMBL18291332

CC(C)(C)OC(=O)N1CCC12CN(c1ccc(N)nc1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.47
GPR119 Q8TDV5 3/20 0.38
RET P07949 6/20 0.37
TRPC6 Q9Y210 2/20 0.36
GCK P35557 1/20 0.36
GCKR Q14397 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
WNT3A P56704 1/20 0.35
USP30 Q70CQ3 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL18291364 0.93 JAK3 (0.52) JAK3GPR119RETNAMPT
SCHEMBL20839065 0.90 JAK3 (0.46) JAK3GPR119RETTRPC6GCK
SCHEMBL30558296 0.90 JAK3 (0.46) JAK3GPR119RETTRPC6GCK
SCHEMBL18291310 0.82 CYP3A4 (0.47) GPR119CYP11B2MEN1MAPTTSHR
SCHEMBL1990092 0.82 NR1H2 (0.42) JAK3GPR119TRPC6GCKGCKR
SCHEMBL30419374 0.82 NR1H2 (0.42) JAK3GPR119TRPC6GCKGCKR
SCHEMBL30664043 0.82 CYP3A4 (0.47) GPR119CYP11B2MEN1MAPTTSHR
SCHEMBL18291321 0.81 CYP11B2 (0.51) GPR119CYP11B2TSHRSMN1; SMN2USP30
SCHEMBL24320210 0.81 GPR119 (0.53) JAK3GPR119MEN1MAPTTSHR
SCHEMBL18650430 0.80 ALOX5AP (0.38) GPR119TRPC6GCKGCKRMEN1

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 50/4885GPR119 2218/4885RET 577/4885

“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.