SCHEMBL780504

SCHEMBL780504

C[C@@H](Nc1cnc2cc(-c3cn[nH]c3)ccc2n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
KRAS P01116 1/20 0.44
SOS1 Q07889 1/20 0.44
MAPK14 Q16539 3/20 0.43
EGFR P00533 1/20 0.43
PRKDC P78527 1/20 0.43
ALK Q9UM73 1/20 0.42
ROCK2 O75116 5/20 0.42
MAPK8 P45983 1/20 0.42
AKT2 P31751 1/20 0.41
ROCK1 Q13464 2/20 0.41
GRK2 P25098 2/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
NUDT1 P36639 1/20 0.41
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL20572297 1.00 LATS1 (0.47) LATS1CCNT1CDK9KRASSOS1
SCHEMBL783340 1.00 LATS1 (0.47) LATS1CCNT1CDK9KRASSOS1
Hydrochloric Acid SCHEMBL16161623 0.99 LATS1 (0.47) LATS1CCNT1CDK9KRASSOS1
Tert-Butyl Formate SCHEMBL28794442 0.90 LATS1 (0.41) LATS1CCNT1CDK9KRASSOS1
SCHEMBL781546 0.89 SOS1 (0.48) CCNT1CDK9KRASSOS1ROCK2
SCHEMBL782846 0.88 ROCK2 (0.48) KRASSOS1ROCK2ROCK1GRK2
Hydrochloric Acid SCHEMBL16161598 0.88 SOS1 (0.47) CCNT1CDK9KRASSOS1ROCK2
SCHEMBL28794437 0.88 ROCK2 (0.46) KRASSOS1MAPK14ROCK2ROCK1
SCHEMBL782054 0.88 ROCK2 (0.46) KRASSOS1MAPK14ROCK2ROCK1
SCHEMBL780463 0.88 ROCK2 (0.46) KRASSOS1MAPK14ROCK2ROCK1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
EP-3259265-A1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER Sentinel Oncology Limited (GB) 2017-12-27 EP claimed
WO-2016131776-A1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER SENTINEL ONCOLOGY LIMITED (GB) 2016-08-25 WO claimed
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP claimed
CN-102459234-B Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD. (GB) 2014-10-15 CN claimed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US claimed
CN-102459234-A Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD 2012-05-16 CN claimed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US claimed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO 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
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
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
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 (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 LATS1 565/4885CCNT1 397/4885CDK9 646/4885
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 LATS1 444/4885CCNT1 39/4885CDK9 138/4885
US-10144726-B2 Modulators of the p70S6 kinase for use in the treatment of brain disorders and triple-negative breast cancer RPS6KA1, RPS6KA3, MTOR LATS1 565/4885CCNT1 397/4885CDK9 646/4885

“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.