SCHEMBL18291349

SCHEMBL18291349

CN(C)[C@H]1CC[C@@H](Oc2ccc(N)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
IRAK4 Q9NWZ3 5/20 0.40
MBOAT4 Q96T53 1/20 0.38
MCHR1 Q99705 1/20 0.36
MPO P05164 1/20 0.35
TPO P07202 1/20 0.35
EPX P11678 1/20 0.35
LPO P22079 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
SOS1 Q07889 1/20 0.34
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
BCL2A1 Q16548 1/20 0.33

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
SCHEMBL18291367 1.00 CYP4F2 (0.43) CYP4F2CYP4A11IRAK4MBOAT4MCHR1
SCHEMBL22663476 0.87 MPO (0.42) CYP4F2CYP4A11MBOAT4MCHR1MPO
SCHEMBL20037530 0.82 CYP4F2 (0.43) CYP4F2CYP4A11IRAK4MBOAT4SOS1
SCHEMBL20038252 0.82 CYP4F2 (0.43) CYP4F2CYP4A11IRAK4MBOAT4SOS1
SCHEMBL20037527 0.82 CYP4F2 (0.43) CYP4F2CYP4A11IRAK4MBOAT4SOS1
SCHEMBL31378802 0.80 TDP1 (0.39) CYP4F2CYP4A11IRAK4BCL2A1CYP3A4
SCHEMBL4018813 0.80 MCHR1 (0.43) MBOAT4MCHR1MPOTPOEPX
SCHEMBL31508102 0.80 PARP10 (0.46) MBOAT4MCHR1MPOTPOEPX
SCHEMBL10255943 0.80 PARP10 (0.46) MBOAT4MCHR1MPOTPOEPX
SCHEMBL20249477 0.79 CYP4F2 (0.41) CYP4F2CYP4A11IRAK4MBOAT4SOS1

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 CYP4F2 805/4885CYP4A11 371/4885IRAK4 456/4885

“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.