SCHEMBL20037792

SCHEMBL20037792

OCC1CCCN(Cc2ccc(I)nc2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.59
CD274 Q9NZQ7 1/20 0.52
LTA4H P09960 1/20 0.47
CNR2 P34972 1/20 0.44
MAPT P10636 1/20 0.44
MAP4K4 O95819 1/20 0.42
HTT P42858 1/20 0.41
S1PR1 P21453 1/20 0.41
PDE2A O00408 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL20037682 0.84 CYP2D6 (0.59) CYP2D6CD274LTA4HCNR2MAPT
SCHEMBL20037663 0.84 ALDH1A1 (0.58) LTA4HCNR2HTTALDH1A1ACHE
SCHEMBL20037672 0.84 ALDH1A1 (0.58) LTA4HCNR2HTTALDH1A1ACHE
SCHEMBL18291479 0.84 ALDH1A1 (0.58) LTA4HCNR2HTTALDH1A1ACHE
SCHEMBL20037827 0.83 HRH3 (0.48) LTA4HACHEHRH3
SCHEMBL20249110 0.81 CYP2D6 (0.55) CYP2D6CD274LTA4HCNR2MAPT
SCHEMBL20038497 0.78 PDE2A (0.38) CYP2D6CD274MAPTHTTPDE2A
SCHEMBL20255702 0.78 ALDH1A1 (0.47) CYP2D6CD274LTA4HALDH1A1
SCHEMBL20255353 0.78 ALDH1A1 (0.47) CYP2D6CD274LTA4HALDH1A1
SCHEMBL6267504 0.77 CYP2D6 (0.72) CYP2D6LTA4HMAPTHTTPDE2A

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 CYP2D6 70/4885CD274 1164/4885LTA4H 3374/4885

“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.