SCHEMBL20249266

SCHEMBL20249266

CC(C)(C)c1ccc(N2CCC(N3CCOCC3)CC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 3/20 0.40
CDK4 P11802 1/20 0.39
CDK6 Q00534 1/20 0.39
CYP1A2 P05177 1/20 0.39
CNR2 P34972 4/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 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
SCHEMBL20249130 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTKDM4EHSD17B10
SCHEMBL18291646 0.83 ALDH1A1 (0.50) MAP4K4KDM2BALDH1A1SMN1; SMN2HTT
SCHEMBL20249315 0.82 KDM2B (0.46) KDM2BHPGD
SCHEMBL20249354 0.81 KDM4E (0.36) KDM2BALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL18291244 0.79 MAP4K4 (0.47) MAP4K4ALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL16132001 0.78 MAP4K4 (0.52) MAP4K4ALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL20249147 0.77 LMNA (0.40) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL20249263 0.74 CDK4 (0.39) MAP4K4CYP2D6CDK4CDK6L3MBTL3
SCHEMBL20249141 0.74 LMNA (0.38) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL20249235 0.74 HRH4 (0.48) SMN1; SMN2CDK4CDK6MEN1KMT2A

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 MAP4K4 191/4885KDM2B 1210/4885ALDH1A1 944/4885

“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.