SCHEMBL20038068

SCHEMBL20038068

Ic1ccc(N2CCC3(CC2)COC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
PRMT5 O14744 2/20 0.39
POLB P06746 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
PDE9A O76083 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
RORC P51449 1/20 0.34
LRRK2 Q5S007 1/20 0.34
AKR1C3 P42330 1/20 0.33
EP300 Q09472 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL18053868 0.81 PIK3CA (0.49) CYP11B1CYP11B2PRMT5POLBCHRNB2
SCHEMBL20038126 0.79 CHRNB2 (0.37) POLBCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18256503 0.78 POLB (0.55) POLBAKR1C3MAPT
SCHEMBL15400584 0.78 AKR1C3 (0.46) CYP11B1CYP11B2RORCLRRK2AKR1C3
SCHEMBL23103355 0.78 PRMT5 (0.41) CYP11B1CYP11B2PRMT5POLBPDE9A
SCHEMBL23108897 0.78 PRMT5 (0.46) CYP11B1CYP11B2PRMT5POLBCHRNB2
SCHEMBL20249241 0.78 CYP11B1 (0.40) CYP11B1CYP11B2PRMT5POLBPDE9A
SCHEMBL24107478 0.77 CYP3A4 (0.43) CYP11B1CYP11B2PRMT5RORCAKR1C3
SCHEMBL30263354 0.77 CYP3A4 (0.43) CYP11B1CYP11B2PRMT5RORCAKR1C3
SCHEMBL24107854 0.73 HRH3 (0.48) PRMT5MAPT

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 CYP11B1 963/4885CYP11B2 1006/4885PRMT5 1897/4885

“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.