SCHEMBL782040

SCHEMBL782040

CN1CCN(c2cccc(CNc3cnc4cc(Br)ccc4n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.46
MAP4K4 O95819 1/20 0.46
NTRK1 P04629 3/20 0.45
MET P08581 3/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
AURKA O14965 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACHE P22303 1/20 0.43
AGXT P21549 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 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
SCHEMBL13050392 0.88 NTRK1 (0.47) HRH4MAP4K4NTRK1METNTRK3
SCHEMBL782077 0.85 KCNH2 (0.43) HRH4NTRK1METNTRK3NTRK2
SCHEMBL781815 0.82 ROCK1 (0.42) HRH4MAP4K4NTRK1METNTRK3
Hydrochloric Acid SCHEMBL16161637 0.81 ROCK1 (0.41) HRH4MAP4K4NTRK1METNTRK3
SCHEMBL782078 0.80 AGXT (0.42) HRH4KCNH2AGXTJAK2JAK1
SCHEMBL780785 0.79 KCNH2 (0.43) HRH4KCNH2JAK2
SCHEMBL27868791 0.79 KCNH2 (0.43) HRH4KCNH2JAK2
SCHEMBL18171881 0.77 PDGFRB (0.61) MAP4K4PDGFRBPDGFRA
SCHEMBL780389 0.77 MAP4K4 (0.50) MAP4K4PDGFRBPDGFRA
SCHEMBL782143 0.71 MAP4K4 (0.42) MAP4K4ACHEPDGFRBPDGFRA

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 HRH4 1347/4885MAP4K4 81/4885NTRK1 1026/4885

“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.