SCHEMBL20249153

SCHEMBL20249153

CC(C)(C)c1ccc(CN2CCNC2=O)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CCR9 P51686 3/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
F10 P00742 1/20 0.37
CHRM1 P11229 1/20 0.36

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
SCHEMBL20249150 0.93 SMN1; SMN2 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL20249148 0.82 CDK4 (0.40) ALDH1A1SMN1; SMN2CCR9CHRNA1CHRNA3
SCHEMBL20249126 0.81 GRM5 (0.42) KMT2ACCR9
SCHEMBL20249210 0.79 L3MBTL1 (0.49) MEN1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL18291704 0.78 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL21382443 0.78 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2MAPTCYP2C9
SCHEMBL20255184 0.78 POLB (0.55) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4595757 0.77 POLB (0.63) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL20224126 0.77 CXCR4 (0.49) MEN1KMT2ACHRM1
SCHEMBL20249207 0.76 CYP11B2 (0.40) CCR9

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 ALDH1A1 944/4885POLB 1145/4885SMN1; SMN2 1690/4885

“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.