SCHEMBL20037567

SCHEMBL20037567

CC(C)(C)[Si](C)(C)OCCN1CCN(Cc2ccc(N)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
LMNA P02545 1/20 0.38
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
PPARD Q03181 1/20 0.34
ACHE P22303 1/20 0.34
RAD52 P43351 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL20037564 0.85 CYP2D6 (0.37) ALDH1A1
SCHEMBL20255404 0.85 CYP2D6 (0.37) HRH3
SCHEMBL20037565 0.85 CYP2D6 (0.37) ALDH1A1
SCHEMBL20255403 0.85 CYP2D6 (0.37) HRH3
SCHEMBL4184353 0.85 LMNA (0.55) HRH3LMNAALDH1A1MEN1KMT2A
SCHEMBL18291605 0.83 PIK3CA (0.41) HRH3PIK3CAMTORGAARAD52
SCHEMBL21403090 0.83 HTR2A (0.38) HRH3HTR1DHTR1BNPC1TP53
SCHEMBL20037571 0.81 HRH3 (0.34) HRH3PIK3CAMTORHTR1DHTR1B
SCHEMBL31073239 0.81 DRD4 (0.40) ALDH1A1GAAPPARD
SCHEMBL20037697 0.81 DCPS (0.39) KMT2AACHE

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 2304/4885LMNA 3947/4885PIK3CA 108/4885

“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.