SCHEMBL20249477

SCHEMBL20249477

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
LIPE Q05469 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
ACACB O00763 3/20 0.33
ACACA Q13085 2/20 0.33
CHRM4 P08173 1/20 0.33
SOS1 Q07889 1/20 0.33
BCL2A1 Q16548 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
EPHX2 P34913 1/20 0.32
CSF1R P07333 1/20 0.31

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
SCHEMBL20249451 1.00 CYP4F2 (0.41) CYP4F2CYP4A11LIPEIRAK4AXL
SCHEMBL15221721 0.89 LIPE (0.40) CYP4F2CYP4A11LIPEAXLTYRO3
SCHEMBL20085932 0.83 PARP10 (0.39) CYP4F2CYP4A11LIPEACACBACACA
SCHEMBL20249192 0.82 LIPE (0.39) CYP4F2CYP4A11LIPEAXLTYRO3
SCHEMBL20249188 0.82 LIPE (0.39) CYP4F2CYP4A11LIPEAXLTYRO3
SCHEMBL13745565 0.82 PDGFRB (0.43) CYP4F2CYP4A11LIPEACACBACACA
SCHEMBL20249447 0.80 CYP4F2 (0.40) CYP4F2CYP4A11LIPEAXLTYRO3
SCHEMBL20249453 0.80 CYP4F2 (0.40) CYP4F2CYP4A11LIPEAXLTYRO3
SCHEMBL20037527 0.79 CYP4F2 (0.43) CYP4F2CYP4A11IRAK4ACACBACACA
SCHEMBL20249213 0.79 HRH1 (0.47) KCNH2HRH3CSF1RFLT3

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 CYP4F2 805/4885CYP4A11 371/4885LIPE 4847/4885

“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.