SCHEMBL20249126

SCHEMBL20249126

CC(C)(C)c1ccc(CN2CCNC(=O)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
CDK4 P11802 1/20 0.41
CDK6 Q00534 1/20 0.41
PARP1 P09874 1/20 0.39
MOGAT2 Q3SYC2 4/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
GRM2 Q14416 1/20 0.38
CYP11B2 P19099 1/20 0.38
CCR9 P51686 3/20 0.38
PPARD Q03181 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
FGFR1 P11362 1/20 0.37
MCHR1 Q99705 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
SCHEMBL20224126 0.84 CXCR4 (0.49) KMT2APPARD
SCHEMBL18291554 0.83 GRM5 (0.47) GRM5CDK4CDK6PARP1KMT2A
SCHEMBL20249153 0.81 ALDH1A1 (0.51) KMT2ACCR9
SCHEMBL1977991 0.80 KMT2A (0.51) KMT2AATM
SCHEMBL12594291 0.80 CDK4 (0.43) GRM5CDK4CDK6PARP1KMT2A
SCHEMBL1126144 0.80 CDK4 (0.43) GRM5CDK4CDK6PARP1KMT2A
SCHEMBL19671029 0.80 POLB (0.43) GRM5PARP1KMT2AATMJAK2
SCHEMBL20037425 0.80 PRMT5 (0.44) GRM5CDK4CDK6PARP1KMT2A
SCHEMBL20249264 0.79 CXCR4 (0.58) KMT2A
SCHEMBL17468364 0.78 CXCR4 (0.55) GRM5KMT2AATM

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 GRM5 2334/4885CDK4 1/4885CDK6 2/4885

“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.