SCHEMBL20249406

SCHEMBL20249406

CC(C)(C)c1ccc(CN2CCN(CC(N)=O)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
CCR9 P51686 3/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
RET P07949 1/20 0.39
CSF1R P07333 1/20 0.38
FLT3 P36888 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL20249403 0.85 ALDH1A1 (0.47) PPARDKMT2AMEN1ATMCCR9
SCHEMBL20249408 0.85 DRD4 (0.47) PPARDKMT2AMEN1ATMCCR9
SCHEMBL12606992 0.83 MEN1 (0.67) PPARDKMT2AMEN1ATMCCR9
SCHEMBL18291662 0.82 KMT2A (0.49) PPARDKMT2AMEN1ATMALDH1A1
SCHEMBL20249113 0.82 ALDH1A1 (0.53) KMT2AALDH1A1KCNH2GPR119
SCHEMBL20249357 0.82 PPARD (0.53) PPARDKMT2AMEN1ATMCCR9
SCHEMBL20249414 0.81 ATM (0.51) PPARDKMT2AMEN1ATMALDH1A1
SCHEMBL20249372 0.81 PPARD (0.49) PPARDKMT2AMEN1ATMCCR9
SCHEMBL18713020 0.80 ALDH1A1 (0.56) PPARDKMT2AMEN1ATMALDH1A1
SCHEMBL10223577 0.80 LMNA (0.50) PPARDALDH1A1LMNACSF1RFLT3

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 PPARD 260/4885KMT2A 670/4885MEN1 2609/4885

“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.