SCHEMBL20255262

SCHEMBL20255262

CC(C)N1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.58
HRH3 Q9Y5N1 3/20 0.50
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CYP1A2 P05177 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
SCHEMBL20038121 0.83 OGA (0.52) OGAHRH3
SCHEMBL20037465 0.83 OGA (0.52) OGAHRH3HTR3EHTR3BHTR3A
SCHEMBL22692189 0.81 OGA (0.57) OGAHRH3KDM4EALDH1A1MAPT
SCHEMBL11527143 0.80 HTR3A (0.56) OGAHRH3KDM4EALDH1A1HTR3E
SCHEMBL18291486 0.79 HRH3 (0.50) OGAHRH3KDM4EALDH1A1MAPT
SCHEMBL20045994 0.79 HRH3 (0.50) OGAHRH3KDM4EALDH1A1MAPT
SCHEMBL278668 0.79 CYP1A2 (0.61) OGAHRH3ALDH1A1MAPTCYP1A2
SCHEMBL20038154 0.79 OGA (0.48) OGAHRH3KDM4EALDH1A1HTR3E
SCHEMBL25106007 0.77 CYP1A2 (0.57) OGAALDH1A1MAPTCYP1A2
SCHEMBL20249325 0.77 HRH3 (0.48) OGAHRH3KDM4EALDH1A1MAPT

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 1 patent. 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

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 OGA 4627/4885HRH3 2304/4885KDM4E 470/4885

“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.