SCHEMBL20249353

SCHEMBL20249353

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCAT P04180 5/20 0.35
EGFR P00533 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CXCR3 P49682 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
SLC6A9 P48067 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
SCHEMBL20249348 0.86 LCAT (0.36) LCATMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20249429 0.84 LCAT (0.33) LCATMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20249446 0.84 LCAT (0.33) LCATMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20249444 0.84 LCAT (0.33) LCATMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18291190 0.83 EGFR (0.37) EGFRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20255518 0.80 LMNA (0.34) EGFRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20255139 0.79 HRH4 (0.31) HRH4
SCHEMBL20249147 0.79 LMNA (0.40) LCATMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20249356 0.76 TRPV1 (0.42) LCATTRPV1HRH4
SCHEMBL20249359 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 4156/4885EGFR 567/4885MEN1 2609/4885

“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.