SCHEMBL20249111

SCHEMBL20249111

CC(C)(C)c1ccc(CN2CCC(C(=O)O)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.51
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
PPARD Q03181 1/20 0.47
CCR9 P51686 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LTA4H P09960 3/20 0.45
ICAM1 P05362 1/20 0.45
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL20249155 0.93 S1PR5 (0.54) S1PR5KMT2ACCR9LTA4HS1PR4
SCHEMBL20249113 0.89 ALDH1A1 (0.53) KMT2AHRH3ALDH1A1LTA4HICAM1
SCHEMBL20255310 0.86 LTA4H (0.48) KMT2AALDH1A1LTA4H
SCHEMBL20249121 0.84 ALDH1A1 (0.52) KMT2AHRH3PPARDALDH1A1LTA4H
SCHEMBL18291546 0.83 KMT2A (0.56) S1PR5KMT2AL3MBTL1HRH3LTA4H
SCHEMBL20255165 0.83 ALDH1A1 (0.47) KMT2AALDH1A1KCNH2GPR119
SCHEMBL20249249 0.82 PPARD (0.43) KMT2AHRH3PPARDLTA4HKCNH2
SCHEMBL20249106 0.82 LTA4H (0.46) KMT2AHRH3PPARDCCR9ALDH1A1
SCHEMBL20249125 0.82 HRH3 (0.45) KMT2AHRH3PPARDLTA4HKCNH2
SCHEMBL20249357 0.81 PPARD (0.53) KMT2AHRH3PPARDCCR9ALDH1A1

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 S1PR5 2141/4885KMT2A 670/4885L3MBTL1 3990/4885

“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.