SCHEMBL20249398

SCHEMBL20249398

CC(C)(C)c1ccc(N2CCN(CC(=O)N3CCCC3)CC2)nn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
DCK P27707 1/20 0.42
DPP4 P27487 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
AURKA O14965 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL20249404 0.89 NPC1 (0.54) SMN1; SMN2ALDH1A1KDM4ETDP1MEN1
SCHEMBL20249389 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATRPV1
SCHEMBL20249362 0.82 TRPV1 (0.46) ALDH1A1KDM4EMAPTTRPV1
SCHEMBL20255338 0.81 ALDH1A1 (0.42) GFERSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL20249420 0.81 TRPV1 (0.39) ALDH1A1KDM4ETRPV1NPC1
SCHEMBL20038458 0.81 GFER (0.52) GFERSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL20255336 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4ETDP1MEN1
SCHEMBL20037550 0.80 GFER (0.49) GFERSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL20249512 0.79 PANK3 (0.46) SMN1; SMN2ALDH1A1KDM4EMEN1TSHR
SCHEMBL20249352 0.78 TRPV1 (0.39) KDM4ETRPV1

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 GFER 4611/4885SMN1; SMN2 1690/4885ALDH1A1 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.