SCHEMBL20249334

SCHEMBL20249334

CC(C)(O)CN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
RET P07949 2/20 0.40
CCR9 P51686 3/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CSF1R P07333 1/20 0.38
FLT3 P36888 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL18291193 0.84 KMT2A (0.44) PPARDMEN1KMT2AATMCSF1R
SCHEMBL18713020 0.84 ALDH1A1 (0.56) PPARDMEN1KMT2AATMRET
SCHEMBL10223577 0.84 LMNA (0.50) PPARDCSF1RFLT3ALDH1A1LMNA
SCHEMBL12673217 0.83 HRH3 (0.50) PPARDHRH3ALDH1A1KDM4E
SCHEMBL20038290 0.83 KMT2A (0.43) PPARDMEN1KMT2AATMCSF1R
SCHEMBL20249252 0.83 ALDH1A1 (0.52) PPARDMEN1KMT2AATMRET
SCHEMBL20037542 0.83 PIK3CA (0.50) PPARDMEN1KMT2AATMCSF1R
SCHEMBL25712667 0.82 PPARD (0.44) PPARDMEN1KMT2AATMRET
SCHEMBL14747471 0.82 HRH3 (0.53) HRH3ALDH1A1KDM4E
SCHEMBL26351870 0.82 HRH3 (0.53) HRH3ALDH1A1KDM4E

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 260/4885MEN1 2609/4885KMT2A 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.