SCHEMBL20249249

SCHEMBL20249249

CC(C)(C)c1ccc(CN2CCC(F)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.43
HRH3 Q9Y5N1 5/20 0.43
KCNH2 Q12809 2/20 0.42
GPR119 Q8TDV5 2/20 0.42
TEAD1 P28347 2/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.40
LTA4H P09960 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
SCHEMBL20249161 0.92 HRH3 (0.45) PPARDHRH3KCNH2GPR119KMT2A
SCHEMBL20249121 0.87 ALDH1A1 (0.52) PPARDHRH3KCNH2GPR119KMT2A
SCHEMBL20249106 0.85 LTA4H (0.46) PPARDHRH3KCNH2GPR119KMT2A
SCHEMBL20249125 0.85 HRH3 (0.45) PPARDHRH3KCNH2GPR119KMT2A
SCHEMBL20249175 0.85 OPRM1 (0.43) PPARDHRH3KCNH2GPR119TEAD1
SCHEMBL20249124 0.85 KCNH2 (0.47) PPARDHRH3KCNH2GPR119KMT2A
SCHEMBL12673217 0.84 HRH3 (0.50) PPARDHRH3
SCHEMBL2739651 0.84 HRH3 (0.51) PPARDHRH3
SCHEMBL14747471 0.83 HRH3 (0.53) HRH3
SCHEMBL26351870 0.83 HRH3 (0.53) HRH3

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
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 260/4885HRH3 2304/4885KCNH2 3160/4885

“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.