SCHEMBL20249348

SCHEMBL20249348

CC(C)(C)c1ccc(N2CCC(O)C(C)(C)C2)nn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCAT P04180 5/20 0.36
IKBKB O14920 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KLF5 Q13887 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR3 P49682 1/20 0.32
PTGES O14684 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CHRM4 P08173 2/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL20249446 0.86 LCAT (0.33) LCATNPC1RAB9AMEN1KMT2A
SCHEMBL20249353 0.86 LCAT (0.35) LCATNPC1RAB9AMEN1KMT2A
SCHEMBL20249429 0.86 LCAT (0.33) LCATNPC1RAB9AMEN1KMT2A
SCHEMBL20249444 0.86 LCAT (0.33) LCATNPC1RAB9AMEN1KMT2A
SCHEMBL18291300 0.82 IKBKB (0.36) IKBKBNPC1RAB9AMEN1KMT2A
SCHEMBL20249147 0.81 LMNA (0.40) LCATNPC1RAB9AMEN1KMT2A
SCHEMBL20038277 0.80 OGA (0.36) LCATIKBKBNPC1RAB9AMEN1
SCHEMBL20249165 0.78 TRPV1 (0.42) LCATTRPV1HRH4
SCHEMBL20249359 0.78 TRPV1 (0.42) LCATTRPV1HRH4
SCHEMBL20249356 0.78 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 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 LCAT 4156/4885IKBKB 437/4885NPC1 3302/4885

“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.