SCHEMBL782083

SCHEMBL782083

[O-][n+]1nc(Cl)nc2ccc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
BACE1 P56817 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
DYRK1A Q13627 1/20 0.34
PIK3CG P48736 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
PSMB8 P28062 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6690674 0.85 NR4A2 (0.35) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL10953240 0.84 AMY1A (0.35) ALDH1A1BACE1KDM4EMEN1MAPT
SCHEMBL29864683 0.82 HTT (0.44) ALDH1A1BACE1KDM4EMEN1KMT2A
SCHEMBL780542 0.82 HTT (0.44) ALDH1A1BACE1KDM4EMEN1KMT2A
SCHEMBL2129100 0.82 ALDH1A1 (0.41) ALDH1A1BACE1KDM4EMAPTKMT2A
SCHEMBL781743 0.82 PIK3CG (0.47) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL29864601 0.82 HTT (0.44) ALDH1A1BACE1KDM4EMEN1KMT2A
SCHEMBL29864664 0.82 ALDH1A1 (0.41) ALDH1A1BACE1KDM4EMAPTKMT2A
SCHEMBL781974 0.82 AMY1A (0.38) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL9941194 0.82 MEN1 (0.38) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 disclosed
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 disclosed
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 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
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO disclosed
EP-0024931-B1 1,2,4-BENZOTRIAZINYLAMINOPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1984-10-17 EP disclosed
EP-0024932-B1 1,2,4-BENZOTRIAZINYLOXYPHENOXYALKANE CARBOXYLIC-ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS HERBICIDES, AND THEIR PREPARATION ICI AUSTRALIA LIMITED (AU) 1984-08-01 EP disclosed
US-4368068-A PRE- AND POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-11 US disclosed
US-4310347-A Herbicidal 1,2,4-benzotriazines ICI AUSTRALIA LIMITED (AU) 1982-01-12 US disclosed
US-4309211-A Herbicidal 1,2,4-benzotriazines ICI AUSTRALIA LIMITED (AU) 1982-01-05 US disclosed
US-4289771-A BACTERICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed
EP-0024932-A2 1,2,4-Benzotriazinyloxyphenoxyalkane carboxylic-acid derivatives, processes for their preparation, their use as herbicides, and their preparation ICI AUSTRALIA LIMITED (AU) 1981-03-11 EP disclosed
EP-0024931-A2 1,2,4-Benzotriazinylaminophenoxyalkane carboxylic acid derivatives, processes for their preparation and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-03-11 EP disclosed
US-4239760-A Combating fungi and bacteria with 3-azolyl-benzo-1,2,4-triazines and 1-oxides thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed
US-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 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 (2 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 ALDH1A1 4173/4885HTR3E 2256/4885HTR3B 1621/4885
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 ALDH1A1 4137/4885HTR3E 2876/4885HTR3B 1845/4885

“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.