SCHEMBL780785

SCHEMBL780785

C[C@@H](Nc1cnc2cc(Br)ccc2n1)c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
PFKFB3 Q16875 1/20 0.41
HRH4 Q9H3N8 4/20 0.40
EGFR P00533 3/20 0.40
KDR P35968 2/20 0.40
HTR3A P46098 2/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 1/20 0.39
HTR6 P50406 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL27868791 1.00 KCNH2 (0.43) KCNH2PFKFB3HRH4EGFRKDR
SCHEMBL780503 0.82 PFKFB3 (0.43) PFKFB3HRH4JAK2JAK3NPC1
Hydrochloric Acid SCHEMBL16161587 0.82 PFKFB3 (0.42) PFKFB3HRH4JAK2JAK3
SCHEMBL13050390 0.80 JAK3 (0.36) PFKFB3HRH4HTR3AJAK2JAK3
SCHEMBL780421 0.79 NUDT1 (0.47) PFKFB3EGFRMEN1KMT2AHTT
SCHEMBL27851794 0.79 NUDT1 (0.47) PFKFB3EGFRMEN1KMT2AHTT
SCHEMBL18171887 0.79 NUDT1 (0.47) PFKFB3EGFRMEN1KMT2AHTT
SCHEMBL782040 0.79 HRH4 (0.46) KCNH2HRH4JAK2
SCHEMBL782196 0.79 PFKFB3 (0.41) PFKFB3MEN1KMT2ANPC1KDM4E
SCHEMBL780985 0.79 TNF (0.42) PFKFB3EGFR

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 9 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
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 KCNH2 1428/4885PFKFB3 479/4885HRH4 1347/4885

“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.