SCHEMBL781536

SCHEMBL781536

CN(c1ccc2ccccc2c1)c1cnc2cc(-c3cn[nH]c3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.40
▸ FGFR1 P11362 8/20 0.38
▸ FGFR2 P21802 8/20 0.38
▸ FGFR3 P22607 8/20 0.38
▸ KDR P35968 8/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ HIPK1 Q86Z02 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ HIPK3 Q9H422 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ FGFR4 P22455 7/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ ALK Q9UM73 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ APP P05067 2/20 0.36
▸ ACVR1 Q04771 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
Hydrochloric Acid SCHEMBL16162193 0.99 FGFR1 (0.40) ROCK2FGFR1FGFR2FGFR3KDR
SCHEMBL27851859 0.83 PIM1 (0.40) ROCK2FGFR1FGFR2FGFR3KDR
SCHEMBL27868815 0.82 SYK (0.40) ROCK2FGFR1FGFR2FGFR3KDR
SCHEMBL27868807 0.80 PIM1 (0.38) ROCK2FGFR1FGFR2FGFR3KDR
SCHEMBL780100 0.76 PIK3CA (0.46) ROCK2
Hydrochloric Acid SCHEMBL781422 0.76 PIK3CA (0.45) ROCK2FGFR1FGFR2FGFR3KDR
SCHEMBL20572016 0.76 ROCK2 (0.42) ROCK2PIM1PIM3PIM2ALK
SCHEMBL782016 0.76 ROCK2 (0.42) ROCK2PIM1PIM3PIM2ALK
SCHEMBL780600 0.76 ROCK2 (0.42) ROCK2PIM1PIM3PIM2ALK
SCHEMBL782079 0.73 ROCK2 (0.43) ROCK2FGFR1FGFR2FGFR3KDR

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 claimed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 — — US claimed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 — — US claimed
EP-3259265-B1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER SENTINEL ONCOLOGY LTD (GB) 2020-04-01 — — EP disclosed
US-10144726-B2 Modulators of the p70S6 kinase for use in the treatment of brain disorders and triple-negative breast cancer SENTINEL ONCOLOGY LIMITED (GB) 2018-12-04 — — US disclosed
US-20180022735-A1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER SENTINEL ONCOLOGY LIMITED (GB) 2018-01-25 — — US 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-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 (3 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-20180022735-A1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER RPS6KA1, RPS6KA3, MTOR ROCK2 374/4885FGFR1 289/4885FGFR2 912/4885
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 ROCK2 733/4885FGFR1 302/4885FGFR2 744/4885
US-10144726-B2 Modulators of the p70S6 kinase for use in the treatment of brain disorders and triple-negative breast cancer RPS6KA1, RPS6KA3, MTOR ROCK2 374/4885FGFR1 289/4885FGFR2 912/4885

“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.

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