SCHEMBL255556

SCHEMBL255556

O=C1CNCCN1c1ccc(I)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
WEE1 P30291 1/20 0.39
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
MAP4K1 Q92918 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
PIM1 P11309 2/20 0.35
HTR6 P50406 2/20 0.35
PRMT5 O14744 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
F10 P00742 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HSD11B1 P28845 1/20 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
SCHEMBL20037516 0.91 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3WEE1CHRNB2
SCHEMBL20037996 0.87 HTR6 (0.42) SLC6A2CHRNB2CHRNA4PIM1HTR6
SCHEMBL158236 0.83 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3WEE1CHRNB2
SCHEMBL255543 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3WEE1CHRNB2
SCHEMBL15341607 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3WEE1CHRNB2
SCHEMBL21414395 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3WEE1CHRNB2
SCHEMBL3594508 0.78 CHRNB2 (0.56) SLC6A2SLC6A4SLC6A3WEE1CHRNB2
Hydrochloric Acid SCHEMBL1583990 0.77 CHRNB2 (0.54) SLC6A2SLC6A4SLC6A3WEE1CHRNB2
SCHEMBL17055028 0.77 MAPT (0.52) SLC6A2SLC6A4SLC6A3WEE1CHRNB2
SCHEMBL20255455 0.77 PIM1 (0.41) SLC6A2SLC6A4SLC6A3WEE1MAP4K1

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 3 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
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 WO 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 SLC6A2 2659/4885SLC6A4 1825/4885SLC6A3 1635/4885

“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.