SCHEMBL20249489

SCHEMBL20249489

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HSD11B1 P28845 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
SCD O00767 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 2/20 0.38
AOC3 Q16853 2/20 0.38
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL20249464 0.88 LMNA (0.43) LMNAHTTHSD11B1FFAR4MEN1
SCHEMBL24621818 0.81 DGAT1 (0.35) LMNAHTTSCDTRPV1MEN1
SCHEMBL20249466 0.81 LMNA (0.63) LMNAHTTTRPV1MEN1KMT2A
SCHEMBL20249371 0.81 HTR1A (0.41) TRPV1
SCHEMBL20249463 0.79 LMNA (0.44) LMNAHTTSCDTRPV1MEN1
SCHEMBL20249147 0.78 LMNA (0.40) LMNAHTTHSD11B1TRPV1MEN1
SCHEMBL20249347 0.77 PTGER4 (0.40)
SCHEMBL20249141 0.75 LMNA (0.38) LMNAHTTTRPV1MEN1KMT2A
SCHEMBL12042054 0.74 HRH3 (0.51) LMNAHTTHSD11B1CNR1CNR2
SCHEMBL20249360 0.74 TRPV1 (0.43) LMNAHTTTRPV1MEN1KMT2A

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 KHK 1071/4885LMNA 3947/4885HTT 3754/4885

“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.