SCHEMBL20249403

SCHEMBL20249403

CNC(=O)CN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
PPARD Q03181 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 1/20 0.41
CCR9 P51686 3/20 0.41
APP P05067 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
OGA O60502 1/20 0.39
CSF1R P07333 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL20249406 0.85 PPARD (0.47) ALDH1A1LMNAPPARDMEN1KMT2A
SCHEMBL20038428 0.83 KMT2A (0.47) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL20249408 0.82 DRD4 (0.47) ALDH1A1LMNAPPARDMEN1KMT2A
SCHEMBL20255257 0.82 ATM (0.46) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL12606992 0.81 MEN1 (0.67) PPARDMEN1KMT2AATMCCR9
SCHEMBL20255310 0.81 LTA4H (0.48) ALDH1A1KMT2A
SCHEMBL20249357 0.80 PPARD (0.53) ALDH1A1LMNAPPARDMEN1KMT2A
SCHEMBL20249372 0.79 PPARD (0.49) ALDH1A1PPARDMEN1KMT2AATM
SCHEMBL20249414 0.79 ATM (0.51) ALDH1A1LMNAPPARDMEN1KMT2A
SCHEMBL10223577 0.78 LMNA (0.50) ALDH1A1LMNAPPARDTP53CA2

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 ALDH1A1 944/4885LMNA 3947/4885PPARD 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.