SCHEMBL12595271

SCHEMBL12595271

Nc1nc(N2CCN(c3ccncc3)CC2)nc(N2CCN(c3ccncc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.56
DHFR P00374 1/20 0.54
CHKA P35790 1/20 0.53
HTR6 P50406 2/20 0.52
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48
PLD1 Q13393 1/20 0.48
HRH3 Q9Y5N1 1/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
CYBB P04839 1/20 0.44
NOX5 Q96PH1 1/20 0.44
NOX3 Q9HBY0 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
PIK3CA P42336 2/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL28112415 0.79 CHKA (0.80) DHFRCHKAADRB2NCF1PLD1
SCHEMBL11150401 0.79 HRH4 (0.59) HRH4HTR6HRH3
SCHEMBL3440171 0.76 CHKA (0.52) DHFRCHKAADRB2NCF1PLD1
SCHEMBL3439981 0.76 CHKA (0.61) DHFRCHKAADRB2NCF1PLD1
SCHEMBL12696742 0.75 CHKA (0.46) HRH4DHFRCHKAHTR6ADRB2
SCHEMBL128037 0.75 HRH4 (0.59) HRH4
SCHEMBL10453209 0.75 HRH4 (0.59) HRH4
SCHEMBL8217931 0.74 CHKA (0.64) DHFRCHKAADRB2NCF1PLD1
SCHEMBL16473503 0.71 DHFR (0.48) HRH4DHFRCHKAHTR6ADRB2
SCHEMBL18590696 0.71 CHKA (0.67) CHKAADRB2NCF1PLD1HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2011-06-23 US disclosed
US-7858782-B2 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE, LLC (US) 2010-12-28 US disclosed
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders ABRAXIS BIOSCIENCE, INC. (US) 2008-07-24 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 (2 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-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, CAMKK2, BAZ1A HRH4 2127/4885DHFR 1828/4885CHKA 409/4885
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders MAP3K15, DSTYK, STK25 HRH4 2057/4885DHFR 2833/4885CHKA 106/4885

“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.