SCHEMBL20249141

SCHEMBL20249141

CC(C)(C)c1ccc(N2CCC(C(C)(C)O)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
HPGDS O60760 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KLF5 Q13887 1/20 0.35
LRRK2 Q5S007 1/20 0.35
LCAT P04180 4/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL20037432 0.84 HTT (0.40) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249147 0.84 LMNA (0.40) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249463 0.83 LMNA (0.44) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL18291253 0.82 PIK3CA (0.42) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20037868 0.82 OGA (0.39) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249466 0.79 LMNA (0.63) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249356 0.79 TRPV1 (0.42) TRPV1LCATHRH4
SCHEMBL20249263 0.79 CDK4 (0.39) HRH4
SCHEMBL20249359 0.79 TRPV1 (0.42) TRPV1LCATHRH4
SCHEMBL20249165 0.79 TRPV1 (0.42) TRPV1LCATHRH4

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 LMNA 3947/4885HTT 3754/4885MEN1 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.