SCHEMBL20249463

SCHEMBL20249463

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CYP3A4 P08684 1/20 0.36
TACR1 P25103 1/20 0.36
SYK P43405 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PAX8 Q06710 1/20 0.34
LTA4H P09960 1/20 0.34
TP53 P04637 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL18291206 0.86 LMNA (0.46) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20038253 0.84 LMNA (0.44) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249466 0.83 LMNA (0.63) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249141 0.83 LMNA (0.38) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249464 0.80 LMNA (0.43) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249147 0.80 LMNA (0.40) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249489 0.79 KHK (0.45) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249360 0.79 TRPV1 (0.43) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL594108 0.75 KDM4E (0.44) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20249445 0.74 BPTF (0.56) TRPV1TP53KDM4E

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.