SCHEMBL20037559

SCHEMBL20037559

OCCN1CCN(c2ccc(I)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH1 P35367 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
MAP4K1 Q92918 1/20 0.40
TLR9 Q9NR96 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CDK4 P11802 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 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
SCHEMBL11981570 0.81 MAPT (0.44) GAACYP3A4MEN1CYP2C9CYP2C19
SCHEMBL12595113 0.81 AKR1C3 (0.51) GAAHRH1DRD2DRD3CDK4
SCHEMBL20332608 0.81 ROCK2 (0.46) GAACYP3A4MEN1CYP2C9CYP2C19
SCHEMBL12595075 0.81 GAA (0.43) GAACYP3A4MEN1CYP2C9CYP2C19
SCHEMBL20038358 0.79 ALDH1A1 (0.36) GAACYP3A4MEN1CYP2C19KMT2A
SCHEMBL17226924 0.79 MAPT (0.42) GAACYP3A4MEN1CYP2C9CYP2C19
SCHEMBL578256 0.78 AKR1C3 (0.46) CYP3A4MEN1CYP2C9CYP2C19KMT2A
SCHEMBL20037501 0.78 MAPT (0.49) GAAMEN1KMT2AMAPT
SCHEMBL18291437 0.78 ALDH1A1 (0.50) GAAMEN1CYP2C19KMT2ATSHR
SCHEMBL21126686 0.78 ALDH1A1 (0.42) GAACYP3A4MEN1CYP2C9CYP2C19

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 GAA 2747/4885CYP3A4 539/4885MEN1 2609/4885

“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.