SCHEMBL20249446

SCHEMBL20249446

CC(C)(C)c1ccc(N2CC[C@@H](O)C3(CC3)C2)nn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCAT P04180 4/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KLF5 Q13887 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CXCR3 P49682 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL20249429 1.00 LCAT (0.33) LCATNPC1RAB9AKLF5MEN1
SCHEMBL20249444 1.00 LCAT (0.33) LCATNPC1RAB9AKLF5MEN1
SCHEMBL20249348 0.86 LCAT (0.36) LCATNPC1RAB9AKLF5MEN1
SCHEMBL20249353 0.84 LCAT (0.35) LCATNPC1RAB9AMEN1KMT2A
SCHEMBL20037511 0.80 LMNA (0.34) NPC1RAB9AKLF5MEN1KMT2A
SCHEMBL20037525 0.80 LMNA (0.34) NPC1RAB9AKLF5MEN1KMT2A
SCHEMBL20037514 0.80 LMNA (0.34) NPC1RAB9AKLF5MEN1KMT2A
SCHEMBL20249147 0.79 LMNA (0.40) LCATNPC1RAB9AKLF5MEN1
SCHEMBL20249359 0.76 TRPV1 (0.42) LCATTRPV1HRH4
SCHEMBL20249356 0.76 TRPV1 (0.42) LCATTRPV1HRH4

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 1 patent. 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

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 LCAT 4156/4885NPC1 3302/4885RAB9A 2154/4885

“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.