SCHEMBL20249293

SCHEMBL20249293

CC(C)(C)c1ccc(N2CCC[C@@H](O)C2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 4/20 0.42
HSD11B1 P28845 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK4 P11802 2/20 0.38
CDK6 Q00534 2/20 0.38
DGAT2 Q96PD7 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
IKBKB O14920 1/20 0.36
KIF18A Q8NI77 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 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
SCHEMBL20249302 1.00 SMPD3 (0.42) SMPD3HSD11B1CCNE2CCNE1CDK2
SCHEMBL20249149 1.00 SMPD3 (0.42) SMPD3HSD11B1CCNE2CCNE1CDK2
SCHEMBL20249165 0.91 TRPV1 (0.42) CDK4CDK6TRPV1
SCHEMBL20249356 0.91 TRPV1 (0.42) CDK4CDK6TRPV1
SCHEMBL20249359 0.91 TRPV1 (0.42) CDK4CDK6TRPV1
SCHEMBL20249350 0.85 KMT2A (0.38) HSD11B1TRPV1
SCHEMBL20255108 0.83 SMPD3 (0.37) SMPD3HSD11B1CCNE2CCNE1CDK2
SCHEMBL20249147 0.82 LMNA (0.40) SMPD3HSD11B1LMNATRPV1
SCHEMBL20249467 0.81 KDM4E (0.49) HSD11B1DGAT2LMNA
SCHEMBL18291469 0.81 SMPD3 (0.44) SMPD3CCNE2CCNE1CDK2CDK4

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 SMPD3 3294/4885HSD11B1 1477/4885CCNE2 123/4885

“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.