SCHEMBL20249147

SCHEMBL20249147

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMPD3 Q9NY59 2/20 0.37
LCAT P04180 4/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KLF5 Q13887 1/20 0.37
ACKR3 P25106 1/20 0.37
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
DCTPP1 Q9H773 2/20 0.35
FGFR1 P11362 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL20249359 0.91 TRPV1 (0.42) LCATTRPV1
SCHEMBL20249356 0.91 TRPV1 (0.42) LCATTRPV1
SCHEMBL20249165 0.91 TRPV1 (0.42) LCATTRPV1
SCHEMBL20249141 0.84 LMNA (0.38) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249350 0.83 KMT2A (0.38) KMT2AHSD11B1TRPV1
SCHEMBL20249149 0.82 SMPD3 (0.42) LMNAHSD11B1SMPD3TRPV1
SCHEMBL20249293 0.82 SMPD3 (0.42) LMNAHSD11B1SMPD3TRPV1
SCHEMBL20249302 0.82 SMPD3 (0.42) LMNAHSD11B1SMPD3TRPV1
SCHEMBL20249466 0.82 LMNA (0.63) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249263 0.81 CDK4 (0.39)

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 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.