SCHEMBL20037985

SCHEMBL20037985

Ic1ccc(CN2CCCOCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
HIF1A Q16665 2/20 0.45
EPAS1 Q99814 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 2/20 0.44
PDE1B Q01064 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL13187503 0.94 HRH3 (0.56) HRH3HIF1AEPAS1SMN1; SMN2NPC1
SCHEMBL4591964 0.84 HRH3 (0.59) HRH3SMN1; SMN2
SCHEMBL18291425 0.82 HRH3 (0.53) HRH3HIF1AEPAS1SMN1; SMN2LTA4H
SCHEMBL18291378 0.82 HRH3 (0.53) HRH3HIF1AEPAS1SMN1; SMN2LTA4H
SCHEMBL20249173 0.79 HRH3 (0.49) HRH3HIF1AEPAS1SMN1; SMN2LTA4H
SCHEMBL20037986 0.79 HRH3 (0.47) HRH3SMN1; SMN2LTA4HPDE1B
SCHEMBL20038097 0.77 HRH3 (0.46) HRH3LTA4H
SCHEMBL20038107 0.77 CXCR4 (0.62) HRH3
SCHEMBL1820767 0.76 HRH3 (0.58) HRH3HIF1AEPAS1SMN1; SMN2NPC1
SCHEMBL20038572 0.75 HRH3 (0.47) HRH3NPC1TP53TSHRRAB9A

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 HRH3 2304/4885HIF1A 3422/4885EPAS1 3583/4885

“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.