SCHEMBL20249166

SCHEMBL20249166

CC(C)(C)c1ccc(C2CCNCC2)nn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
PLAT P00750 2/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2C P28335 9/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP7 Q93009 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL11916051 0.76 HRH4 (0.37) HRH4PLATSLC18A3SIGMAR1HTR2C
SCHEMBL11916023 0.75 HTR2C (0.45) PLATSLC18A3SIGMAR1HTR2C
SCHEMBL23858239 0.75 HTR2C (0.40) HRH4SLC18A3SIGMAR1HTR2CMEN1
SCHEMBL30011048 0.75 HTR2C (0.40) HRH4SLC18A3SIGMAR1HTR2CMEN1
SCHEMBL15787084 0.74 HTR2C (0.45) HRH4PLATSLC18A3SIGMAR1HTR2C
SCHEMBL20037971 0.73 HRH4 (0.40) HRH4SLC18A3SIGMAR1HTR2CHRH3
SCHEMBL21045972 0.73 HRH4 (0.47) HRH4SLC18A3SIGMAR1HTR2CHRH3
SCHEMBL31639401 0.73 USP7 (0.43) HRH4SLC18A3SIGMAR1HTR2CHRH3
SCHEMBL13934264 0.73 BPTF (0.44) HRH4SLC18A3SIGMAR1HTR2CHRH3
SCHEMBL21288252 0.72 GLS (0.41) HRH4SLC18A3SIGMAR1HTR2CHRH3

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 HRH4 1763/4885PLAT 2189/4885SLC18A3 4657/4885

“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.