SCHEMBL20249171

SCHEMBL20249171

CC(C)(C)c1ccc(CN2CCN(CCF)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.45
HRH3 Q9Y5N1 1/20 0.41
RET P07949 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CCR9 P51686 2/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
MOGAT2 Q3SYC2 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CA2 P00918 1/20 0.36
NCF1 P14598 1/20 0.36
CHKA P35790 1/20 0.36
PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL20249144 0.87 PPARD (0.43) PPARDHRH3RETMEN1KMT2A
SCHEMBL10223577 0.87 LMNA (0.50) PPARDALDH1A1LMNAHPGDCA2
SCHEMBL20249252 0.86 ALDH1A1 (0.52) PPARDHRH3RETMEN1KMT2A
SCHEMBL18713020 0.84 ALDH1A1 (0.56) PPARDRETMEN1KMT2AATM
SCHEMBL20249482 0.83 HRH3 (0.45) PPARDHRH3RETMEN1KMT2A
SCHEMBL12673217 0.83 HRH3 (0.50) PPARDHRH3ALDH1A1NCF1
SCHEMBL25712667 0.82 PPARD (0.44) PPARDHRH3RETMEN1KMT2A
SCHEMBL20249515 0.82 ALDH1A1 (0.49) PPARDHRH3RETMEN1KMT2A
SCHEMBL14747471 0.82 HRH3 (0.53) HRH3ALDH1A1TSHR
SCHEMBL26351870 0.82 HRH3 (0.53) HRH3ALDH1A1TSHR

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 260/4885HRH3 2304/4885RET 577/4885

“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.