SCHEMBL20249161

SCHEMBL20249161

CC(C)(C)c1ccc(CN2CC[C@@H](F)C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
KCNH2 Q12809 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
LTA4H P09960 1/20 0.40
PREP P48147 1/20 0.40
PPARD Q03181 1/20 0.39
MOGAT2 Q3SYC2 2/20 0.39
TLR7 Q9NYK1 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR9 P51686 1/20 0.37

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
SCHEMBL20249249 0.92 PPARD (0.43) HRH3KCNH2GPR119LTA4HPPARD
SCHEMBL20249418 0.85 ALDH1A1 (0.47) KCNH2GPR119LTA4HKMT2A
SCHEMBL20249158 0.85 ALDH1A1 (0.47) KCNH2GPR119LTA4HKMT2A
SCHEMBL20249121 0.82 ALDH1A1 (0.52) HRH3KCNH2GPR119LTA4HPPARD
SCHEMBL20037954 0.81 HRH3 (0.48) HRH3LTA4HTLR7KMT2A
SCHEMBL12029113 0.81 HRH3 (0.48) HRH3LTA4HTLR7KMT2A
SCHEMBL20249155 0.81 S1PR5 (0.54) LTA4HKMT2ACCR9
SCHEMBL20249108 0.80 ALDH1A1 (0.55) LTA4H
SCHEMBL20249510 0.80 ALDH1A1 (0.55) LTA4H
SCHEMBL20249506 0.80 ALDH1A1 (0.55) LTA4H

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 HRH3 2304/4885KCNH2 3160/4885GPR119 2218/4885

“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.