SCHEMBL20037554

SCHEMBL20037554

Ic1ccc(C2CCNCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
HTR2C P28335 8/20 0.44
QDPR P09417 1/20 0.44
HTR3A P46098 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP7 Q93009 1/20 0.36

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
SCHEMBL17420698 0.86 KDM4E (0.42) DDB1CRBNKDM4EGLAHTT
SCHEMBL21367862 0.82 KDM4E (0.47) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL22677822 0.81 HTT (0.54) HRH3KDM4EGLAHTTKMT2A
SCHEMBL20037854 0.81 CYP2D6 (0.44)
SCHEMBL25330905 0.78 CHRNB2 (0.49) SLC18A3SIGMAR1DDB1CRBNKMT2A
SCHEMBL12975623 0.78 HTR2C (0.47) SLC18A3SIGMAR1DDB1CRBNHTR2C
SCHEMBL2801022 0.78 HTR2C (0.49) SLC18A3SIGMAR1DDB1CRBNHTR2C
SCHEMBL20255477 0.78 ESR2 (0.50) SLC18A3HRH3KDM4EGLAHTT
SCHEMBL11294357 0.78 SLC18A3 (0.47) SLC18A3SIGMAR1DDB1CRBNHTR2C
SCHEMBL20037885 0.78 KDM4E (0.37) HRH3KDM4EGLAHTTKMT2A

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 SLC18A3 4657/4885SIGMAR1 4473/4885DDB1 1599/4885

“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.