SCHEMBL20037568

SCHEMBL20037568

Cc1cc(N)ncc1CN1CCN(CCO[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 2/20 0.32
MTNR1A P48039 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DHFR P00374 1/20 0.32
NPC1 O15118 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
PIK3R1 P27986 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL20037571 0.80 HRH3 (0.34) NOS3NOS1NOS2HTR1DHTR1B
SCHEMBL20037567 0.79 HRH3 (0.41) ALDH1A1NPC1HTR1DHTR1BPIK3CA
SCHEMBL20037570 0.78 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1HTR1D
SCHEMBL18291605 0.74 PIK3CA (0.41) KDM4EPIK3CAMTORHTR7
SCHEMBL4184353 0.73 LMNA (0.55) ALDH1A1NPC1
SCHEMBL4340649 0.70 HTT (0.40) KDM4EALDH1A1HTR1DHTR1B
SCHEMBL20255126 0.70 PIK3CA (0.34) PIK3CAMTORHTR2AHTR7
SCHEMBL18291340 0.70 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL18291471 0.69 HTR2A (0.35) NPC1PIK3CAMTORHTR2A
SCHEMBL20203511 0.68 NCF1 (0.39) NOS3NOS1NOS2ALDH1A1PIK3CA

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 NOS3 4623/4885NOS1 4784/4885NOS2 4766/4885

“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.