SCHEMBL780985

SCHEMBL780985

C[C@@H](Nc1cnc2cc(Br)ccc2n1)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.42
PFKFB3 Q16875 3/20 0.41
RPS6KB1 P23443 1/20 0.41
MAPK14 Q16539 3/20 0.39
DYRK1A Q13627 1/20 0.39
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
PLK1 P53350 1/20 0.39
CAMK2D Q13557 1/20 0.38
GRK6 P43250 1/20 0.38
CSF1R P07333 1/20 0.37
NTRK1 P04629 2/20 0.36
EGFR P00533 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL27851800 1.00 TNF (0.42) TNFPFKFB3RPS6KB1MAPK14DYRK1A
Hydrochloric Acid SCHEMBL15661359 0.87 KRAS (0.43) TNFPFKFB3RPS6KB1MAPK14DYRK1A
SCHEMBL18171857 0.86 CCNT1 (0.44) MAPK14KRASSOS1EGFR
SCHEMBL780421 0.86 NUDT1 (0.47) PFKFB3MAPK14PLK1EGFR
SCHEMBL27851794 0.86 NUDT1 (0.47) PFKFB3MAPK14PLK1EGFR
SCHEMBL18171887 0.86 NUDT1 (0.47) PFKFB3MAPK14PLK1EGFR
SCHEMBL782196 0.86 PFKFB3 (0.41) PFKFB3RPS6KB1DYRK1AKRASSOS1
SCHEMBL27868798 0.86 PFKFB3 (0.41) PFKFB3RPS6KB1DYRK1AKRASSOS1
SCHEMBL13049104 0.86 TNF (0.42) TNFPFKFB3RPS6KB1MAPK14DYRK1A
SCHEMBL782012 0.84 PFKFB3 (0.47) PFKFB3RPS6KB1KRASSOS1PLK1

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
WO-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed
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

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 TNF 4778/4885PFKFB3 479/4885RPS6KB1 23/4885

“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.