SCHEMBL1801309

SCHEMBL1801309

CCC1CC=C(c2cnc3[nH]cc(-c4csc(C(=O)N5CCOCC5)n4)c3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.43
▸ HTR2C P28335 2/20 0.42
▸ KIT P10721 1/20 0.40
▸ WDR5 P61964 2/20 0.38
▸ DYRK1B Q9Y463 1/20 0.37
▸ PLK4 O00444 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ ROS1 P08922 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ MARK3 P27448 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CSNK1G2 P78368 1/20 0.35
▸ MAP4K2 Q12851 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35

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
SCHEMBL1802608 0.91 NTRK1 (0.45) NTRK1HTR2CKITWDR5DYRK1B
SCHEMBL1798275 0.85 NTRK1 (0.47) NTRK1HTR2CKITWDR5DYRK1B
SCHEMBL1801623 0.82 MAP3K11 (0.44) NTRK1WDR5ROCK1MAP3K11MAP4K1
SCHEMBL1801878 0.80 HTR2C (0.56) NTRK1HTR2CKITPLK4JAK2
SCHEMBL1797469 0.78 HTR2C (0.53) NTRK1HTR2CKITWDR5PLK4
SCHEMBL1799492 0.77 TNIK (0.40) NTRK1HTR2CKITMAP3K11
SCHEMBL1799017 0.77 NTRK1 (0.44) NTRK1HTR2CKITWDR5PLK4
SCHEMBL8443573 0.77 HTR2C (0.46) NTRK1HTR2CKITWDR5PLK4
SCHEMBL1801418 0.77 MAPK8 (0.47) NTRK1HTR2CKITWDR5PLK4
SCHEMBL1798276 0.77 NTRK1 (0.47) NTRK1HTR2CKITWDR5PLK4

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 NTRK1 608/4885HTR2C 2136/4885KIT 1374/4885

“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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