SCHEMBL20249404

SCHEMBL20249404

CC(C)(C)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 9/20 0.51
KDM4E B2RXH2 6/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 5/20 0.47
HPGD P15428 4/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CNR2 P34972 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
SMO Q99835 1/20 0.44

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
SCHEMBL20249398 0.89 GFER (0.49) NPC1ALDH1A1KDM4ERECQLMAPT
SCHEMBL18291681 0.84 ALDH1A1 (0.54) NPC1ALDH1A1KDM4ERECQLHSD17B10
SCHEMBL20038533 0.82 ALDH1A1 (0.54) NPC1ALDH1A1KDM4ERECQLHSD17B10
SCHEMBL20249389 0.80 ALDH1A1 (0.42) ALDH1A1POLBKMT2AGAACYP1A2
SCHEMBL20249130 0.79 ALDH1A1 (0.51) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL20249362 0.79 TRPV1 (0.46) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL20249420 0.78 TRPV1 (0.39) NPC1ALDH1A1KDM4E
SCHEMBL20255338 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTKMT2AGAA
SCHEMBL20249512 0.76 PANK3 (0.46) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL20249352 0.76 TRPV1 (0.39) KDM4EGAACYP1A2

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 NPC1 3302/4885ALDH1A1 944/4885KDM4E 470/4885

“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.