SCHEMBL20249379

SCHEMBL20249379

CC(C)(C)c1ccc(N2CCN(CC#N)CC2)nn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
AR P10275 1/20 0.34
OGA O60502 1/20 0.33
RET P07949 1/20 0.33
PANK3 Q9H999 5/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL20249301 0.81 TRPV1 (0.36) ALDH1A1TRPV1AROGAVEGFA
SCHEMBL20249352 0.81 TRPV1 (0.39) TRPV1OGAVEGFAEGLN1KDM4E
SCHEMBL20249395 0.78 OGA (0.39) TRPV1AROGARETPANK3
SCHEMBL20249351 0.78 TRPV1 (0.38) TRPV1AROGARETVEGFA
SCHEMBL20249151 0.78 GAA (0.47) POLBALDH1A1LMNATSHRKMT2A
SCHEMBL20249320 0.78 OGA (0.39) ALDH1A1KMT2ATRPV1OGARET
SCHEMBL18291765 0.78 PANK3 (0.34) POLBALDH1A1ARPANK3KDM4E
SCHEMBL20249268 0.77 HRH4 (0.51) ALDH1A1KDM4E
SCHEMBL20249387 0.76 OGA (0.42) TRPV1OGAPANK3
SCHEMBL20249349 0.76 DRD2 (0.43) KMT2ATRPV1OGARETPANK3

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 POLB 1145/4885ALDH1A1 944/4885LMNA 3947/4885

“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.