SCHEMBL1799235

SCHEMBL1799235

CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 4/20 0.56
▸ CDK8 P49336 4/20 0.55
▸ AXL P30530 4/20 0.55
▸ TNIK Q9UKE5 1/20 0.55
▸ SGK1 O00141 4/20 0.49
▸ CAMKK2 Q96RR4 3/20 0.48
▸ KIT P10721 1/20 0.47
▸ MAP3K11 Q16584 1/20 0.47

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
SCHEMBL15500799 0.92 PDPK1 (0.51) PDPK1CDK8AXLTNIKSGK1
SCHEMBL15500789 0.92 AXL (0.52) PDPK1CDK8AXLTNIKSGK1
SCHEMBL15500793 0.91 PDPK1 (0.49) PDPK1CDK8AXLTNIKSGK1
SCHEMBL15500801 0.88 AXL (0.59) PDPK1CDK8AXLTNIKSGK1
SCHEMBL15500798 0.87 NTRK1 (0.60) KIT
SCHEMBL12338414 0.85 PDPK1 (0.40) PDPK1CDK8AXLTNIK
SCHEMBL15500795 0.85 AXL (0.48) PDPK1CDK8AXLTNIKSGK1
SCHEMBL12338410 0.85 MEN1 (0.42) PDPK1CDK8AXLTNIKCAMKK2
SCHEMBL1799005 0.84 AXL (0.63) PDPK1CDK8AXLTNIKSGK1
SCHEMBL15500877 0.83 PDPK1 (0.54) PDPK1CDK8AXLTNIKSGK1

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-1765819-B1 AZAINDOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2014-03-12 — — EP disclosed
EP-1765819-B1 AZAINDOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2014-03-12 — — EP 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
EP-2325184-A1 Azaindoles useful as inhibitors of protein kinases Vertex Pharmceuticals Incorporated (US) 2011-05-25 — — EP 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
EP-2125801-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 — — EP 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
CN-101228160-A Azaindoles useful as inhibitors of protein kinases VERTEX PHARMA (US) 2008-07-23 — — CN disclosed
US-20060122213-A1 Azaindoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 — — 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 PDPK1 546/4885CDK8 436/4885AXL 4302/4885
US-20060122213-A1 Azaindoles useful as inhibitors of protein kinases PRKDC, ABL1, MAP3K20 PDPK1 163/4885CDK8 171/4885AXL 1288/4885

“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.

Send feedback