SCHEMBL780474

SCHEMBL780474

CN(Cc1ccc(F)c(C(F)(F)F)c1)c1cnc2cc(Br)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
SLC6A9 P48067 3/20 0.35
KCNH2 Q12809 3/20 0.35
TRPM8 Q7Z2W7 4/20 0.34
CYP3A4 P08684 2/20 0.34
SLC6A5 Q9Y345 1/20 0.34
PIK3CD O00329 1/20 0.34
LMNA P02545 1/20 0.34
PIK3R1 P27986 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2D6 P10635 1/20 0.33
AKT1 P31749 1/20 0.33
HDAC3 O15379 1/20 0.33
TUBB4A P04350 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
SCHEMBL13050381 0.88 GRIN2B (0.38) GRIN2BSLC6A9KCNH2TRPM8CYP3A4
SCHEMBL782036 0.83 PIK3CA (0.43) KCNH2PIK3CDLMNAPIK3R1HTT
SCHEMBL781484 0.81 GRIN2B (0.44) GRIN2BAKT1PIK3CAGRIN1
SCHEMBL18171876 0.78 SMN1; SMN2 (0.54) PIK3CDLMNAPIK3R1HTTSMN1; SMN2
Tert-Butyl Formate SCHEMBL27868796 0.76 GRIN2B (0.39) GRIN2BAKT1PIK3CAGRIN1
Tert-Butyl Formate SCHEMBL27868797 0.74 GRIN2B (0.38) GRIN2BSLC6A9KCNH2CYP3A4SLC6A5
SCHEMBL780473 0.74 AKT1 (0.40) GRIN2BPTPN7DUSP3USP28USP25
SCHEMBL782164 0.74 GRIN2B (0.43) GRIN2BSLC6A9KCNH2CYP3A4SLC6A5
SCHEMBL27868793 0.73 GRIN2B (0.37) GRIN2BSLC6A9KCNH2TRPM8CYP3A4
SCHEMBL782078 0.69 AGXT (0.42) KCNH2PIK3CDLMNAPIK3R1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP disclosed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
CN-102459234-A Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD 2012-05-16 CN disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO 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-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 GRIN2B 3933/4885PTPN7 483/4885DUSP3 485/4885

“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.