SCHEMBL20249188

SCHEMBL20249188

CC(C)(C)c1ccc(O[C@H]2CC[C@H](O)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.39
ACACB O00763 4/20 0.37
ACACA Q13085 2/20 0.37
GPR119 Q8TDV5 2/20 0.35
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
CHRM4 P08173 1/20 0.34
CSF1R P07333 2/20 0.34
FLT3 P36888 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPY4R P50391 1/20 0.34
NPY5R Q15761 1/20 0.34
CHEK2 O96017 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
LNPEP Q9UIQ6 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PIM1 P11309 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
SCHEMBL20249192 1.00 LIPE (0.39) LIPEACACBACACAGPR119CYP4F2
SCHEMBL15221721 0.92 LIPE (0.40) LIPEACACBACACAGPR119CYP4F2
SCHEMBL20085932 0.86 PARP10 (0.39) LIPEACACBACACACYP4F2CYP4A11
SCHEMBL13745565 0.84 PDGFRB (0.43) LIPEACACBACACACYP4F2CYP4A11
SCHEMBL20249453 0.82 CYP4F2 (0.40) LIPEACACBACACACYP4F2CYP4A11
SCHEMBL20249447 0.82 CYP4F2 (0.40) LIPEACACBACACACYP4F2CYP4A11
SCHEMBL20249451 0.82 CYP4F2 (0.41) LIPEACACBACACAGPR119CYP4F2
SCHEMBL20249477 0.82 CYP4F2 (0.41) LIPEACACBACACAGPR119CYP4F2
SCHEMBL20249213 0.82 HRH1 (0.47) CSF1RFLT3HRH3
SCHEMBL20249283 0.80 SLC6A2 (0.44)

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 1 patent. 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

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 LIPE 4847/4885ACACB 4306/4885ACACA 4368/4885

“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.