SCHEMBL1801591

SCHEMBL1801591

Cc1nc(-c2c[nH]c3ncc(Br)cc23)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.53
▸ CDK2 P24941 3/20 0.51
▸ ROCK2 O75116 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ CDK1 P06493 2/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PRKCG P05129 1/20 0.51
▸ INSR P06213 1/20 0.51
▸ FES P07332 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ ROS1 P08922 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ PHKG2 P15735 1/20 0.51
▸ FER P16591 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ MARK3 P27448 1/20 0.51

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
SCHEMBL1516690 0.85 PDPK1 (0.57) PDPK1CDK2ROCK2AURKBCDK1
Bromide SCHEMBL1516571 0.84 PDPK1 (0.56) PDPK1CDK2ROCK2AURKBCDK1
SCHEMBL1800868 0.83 PDPK1 (0.53) PDPK1CDK2ROCK2AURKBCDK1
SCHEMBL13538985 0.81 CDK2 (0.48) PDPK1CDK2ROCK2AURKBCDK1
SCHEMBL1799923 0.80 DYRK1A (0.50) PDPK1CDK2ROCK2AURKBCDK1
SCHEMBL1799005 0.80 AXL (0.63) PDPK1GSK3BAXLCDK8TNIK
SCHEMBL1800624 0.78 PDPK1 (0.48) PDPK1CDK2ROCK2AURKBCDK1
Bromide SCHEMBL1799619 0.78 PDPK1 (0.47) PDPK1CDK2ROCK2AURKBCDK1
SCHEMBL1799003 0.77 MAPK9 (0.40) PDPK1CDK2ROCK2CDK1PLK4
SCHEMBL13505098 0.77 MAP4K4 (0.44) PDPK1CDK2ROCK2AURKBCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 — — US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 — — US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 — — 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 PDPK1 546/4885CDK2 545/4885ROCK2 449/4885

“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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