SCHEMBL20249395

SCHEMBL20249395

CC(C)(C)c1ccc(N2CCN(CC(F)(F)F)CC2)nn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.39
AR P10275 1/20 0.37
HPGDS O60760 4/20 0.36
CXCR3 P49682 1/20 0.35
HTR6 P50406 2/20 0.35
PANK3 Q9H999 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
RET P07949 1/20 0.35
LCAT P04180 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 0.88 TRPV1 (0.36) OGAARTRPV1
SCHEMBL20249351 0.85 TRPV1 (0.38) OGAARTRPV1RET
SCHEMBL20249352 0.82 TRPV1 (0.39) OGATRPV1
SCHEMBL18291668 0.82 OGA (0.40) OGAARHPGDSHTR6PANK3
SCHEMBL20249151 0.79 GAA (0.47) TRPV1DRD2DRD3
SCHEMBL20249320 0.79 OGA (0.39) OGAHTR6PANK3TRPV1RET
SCHEMBL18291748 0.79 HPGDS (0.37) ARHPGDSHTR6PANK3DRD2
SCHEMBL20038405 0.79 OGA (0.40) OGAARHPGDSHTR6PANK3
SCHEMBL20249379 0.78 POLB (0.36) OGAARPANK3TRPV1RET
SCHEMBL20249268 0.78 HRH4 (0.51)

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 OGA 4627/4885AR 1169/4885HPGDS 1953/4885

“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.