SCHEMBL20037591

SCHEMBL20037591

CC(C)(C)c1ccc(N2CCNC(=O)C2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.40
CDK4 P11802 2/20 0.37
CCNT1 O60563 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 1/20 0.37
HPGDS O60760 1/20 0.37
LRRK2 Q5S007 4/20 0.36
BPTF Q12830 2/20 0.36
PKM P14618 2/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRMT5 O14744 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL18291285 0.81 CDK4 (0.39) CDK4CCNT1CCND1CCND3CDK9
SCHEMBL20249099 0.79 BPTF (0.57) BPTFKDM4E
SCHEMBL18291252 0.78 PIK3CA (0.41) CDK4CCNT1CCND1CCND3CDK9
SCHEMBL30283160 0.78 BPTF (0.61) CDK4BPTF
SCHEMBL3298953 0.78 PRMT5 (0.39) CDK4CCNT1CCND1CCND3CDK9
SCHEMBL25043903 0.78 BPTF (0.61) CDK4BPTF
SCHEMBL14349622 0.76 HPGDS (0.45) CDK4CCNT1CCND1CCND3CDK9
SCHEMBL20249114 0.76 CCNT1 (0.46) GFERCDK4CCNT1CCND1CCND3
SCHEMBL9963945 0.74 GRIN2D (0.51) CDK4CCNT1CCND1CCND3CDK9
SCHEMBL20249260 0.74 BPTF (0.51) BPTFKDM4E

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 3 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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 GFER 4611/4885CDK4 1/4885CCNT1 49/4885

“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.