SCHEMBL20249144

SCHEMBL20249144

CCCN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RET P07949 1/20 0.41
ATM Q13315 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL10223577 0.88 LMNA (0.50) PPARDALDH1A1NPC1TP53RAB9A
SCHEMBL18713020 0.88 ALDH1A1 (0.56) PPARDALDH1A1MEN1KMT2ARET
SCHEMBL20249252 0.87 ALDH1A1 (0.52) PPARDALDH1A1HRH3MEN1KMT2A
SCHEMBL20249171 0.87 PPARD (0.45) PPARDALDH1A1HRH3MEN1KMT2A
SCHEMBL20249482 0.85 HRH3 (0.45) PPARDALDH1A1HRH3MEN1KMT2A
SCHEMBL12673217 0.84 HRH3 (0.50) PPARDALDH1A1HRH3
SCHEMBL25712667 0.84 PPARD (0.44) PPARDALDH1A1HRH3MEN1KMT2A
SCHEMBL20249515 0.83 ALDH1A1 (0.49) PPARDALDH1A1HRH3MEN1KMT2A
SCHEMBL14747471 0.83 HRH3 (0.53) ALDH1A1HRH3
SCHEMBL26351870 0.83 HRH3 (0.53) ALDH1A1HRH3

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 PPARD 260/4885ALDH1A1 944/4885HRH3 2304/4885

“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.