SCHEMBL20249357

SCHEMBL20249357

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.53
CCR9 P51686 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.46
PPARA Q07869 2/20 0.42
KCNH2 Q12809 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
PPARG P37231 1/20 0.40
RET P07949 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CSF1R P07333 1/20 0.38
FLT3 P36888 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL18291299 0.85 PPARD (0.48) PPARDKMT2AMEN1ATMPPARA
SCHEMBL25712667 0.85 PPARD (0.44) PPARDCCR9KMT2AMEN1ATM
SCHEMBL20038283 0.84 KMT2A (0.46) PPARDKMT2AMEN1ATMPPARA
SCHEMBL20249372 0.83 PPARD (0.49) PPARDCCR9KMT2AMEN1ATM
SCHEMBL12606992 0.83 MEN1 (0.67) PPARDCCR9KMT2AMEN1ATM
SCHEMBL20249408 0.82 DRD4 (0.47) PPARDCCR9KMT2AMEN1ATM
SCHEMBL20249406 0.82 PPARD (0.47) PPARDCCR9KMT2AMEN1ATM
SCHEMBL20249414 0.81 ATM (0.51) PPARDKMT2AMEN1ATMALDH1A1
SCHEMBL20249111 0.81 S1PR5 (0.51) PPARDCCR9KMT2AMEN1KCNH2
SCHEMBL18713020 0.80 ALDH1A1 (0.56) PPARDKMT2AMEN1ATMRET

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 PPARD 260/4885CCR9 2183/4885KMT2A 670/4885

“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.