SCHEMBL20249105

SCHEMBL20249105

CC(C)(C)c1ccc(N2CCN(CCO)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
SYK P43405 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 3/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL20255151 0.85 GAA (0.42) GAASYKPPARDPPARAPARP1
SCHEMBL20224118 0.84 GAA (0.50) GAAPPARDPPARAPARP1PARP2
SCHEMBL20085931 0.82 MAPT (0.46) GAAKMT2AALDH1A1MAPTMEN1
SCHEMBL20249472 0.81 GAA (0.38) GAASYKHRH3CYP3A4KMT2A
SCHEMBL11981570 0.81 MAPT (0.44) GAACYP3A4KMT2ACDK1CDK4
SCHEMBL20249252 0.80 ALDH1A1 (0.52) GAASYKPPARDHRH3KMT2A
SCHEMBL20249309 0.79 GAA (0.37) GAASYKPARP1PARP2HRH3
SCHEMBL13165214 0.79 HRH3 (0.43) GAAHRH3ALDH1A1LMNAPOLB
SCHEMBL14868545 0.78 GAA (0.50) GAASYKHRH3CYP3A4KMT2A
SCHEMBL17226924 0.78 MAPT (0.42) GAAPARP1HRH3CYP3A4KMT2A

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 GAA 2747/4885SYK 609/4885PPARD 260/4885

“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.