SCHEMBL20037571

SCHEMBL20037571

CC(C)(C)[Si](C)(C)OCCN1CCN(Cc2cnc(N)cn2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
DUT P33316 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CDK6 Q00534 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL20037567 0.81 HRH3 (0.41) HRH3HTR1DHTR1BPIK3CAMTOR
SCHEMBL18202723 0.81 PIK3CA (0.43) HRH3NOS3NOS1NOS2PIK3CA
SCHEMBL20037568 0.80 NOS3 (0.40) NOS3NOS1NOS2HTR1DHTR1B
SCHEMBL18291605 0.77 PIK3CA (0.41) HRH3PIK3CAMTOR
SCHEMBL5133063 0.76 LMNA (0.46) HRH3NOS3NOS1NOS2CDK1
SCHEMBL4184353 0.75 LMNA (0.55) HRH3
SCHEMBL2497517 0.75 ALOX5AP (0.40) ALOX5APFEN1
SCHEMBL20255126 0.75 PIK3CA (0.34) ALOX5APFEN1DUTPIK3CAMTOR
SCHEMBL18202737 0.73 ALDH1A1 (0.40) HRH3CDK1CDK4CDK6
SCHEMBL20037570 0.73 NOS3 (0.33) NOS3NOS1NOS2DUTHTR1D

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 2304/4885ALOX5AP 3913/4885FEN1 1799/4885

“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.