SCHEMBL1799160

SCHEMBL1799160

O=C(c1nc(-c2c[nH]c3ncc(C4CCCCC4)cc23)cs1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.38
▸ TYR P14679 1/20 0.38
▸ NTRK1 P04629 2/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ MAPK9 P45984 2/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ TNIK Q9UKE5 2/20 0.36
▸ CAMKK2 Q96RR4 2/20 0.36
▸ SGK1 O00141 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ CAMKK1 Q8N5S9 1/20 0.36
▸ SGK3 Q96BR1 1/20 0.36
▸ SGK2 Q9HBY8 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ ATP4A P20648 2/20 0.36
▸ ATP4B P51164 2/20 0.36
▸ JAK3 P52333 3/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 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
SCHEMBL1800574 0.93 MAP3K11 (0.42) HTR2CTYRMAPK8MAPK9MAPK10
SCHEMBL1801875 0.93 HTR2C (0.48) HTR2CTYRNTRK1MAPK8MAPK9
SCHEMBL1802085 0.93 JAK3 (0.39) HTR2CTYRNTRK1MAPK8MAPK9
SCHEMBL8172010 0.92 MAP3K11 (0.42) HTR2CNTRK1MAPK8MAPK9MAPK10
SCHEMBL1801219 0.89 HTR2C (0.37) HTR2CNTRK1MAPK8MAPK9MAPK10
SCHEMBL1800224 0.88 MAPK8 (0.54) HTR2CNTRK1MAPK8MAPK9MAPK10
SCHEMBL1800226 0.88 MAPK8 (0.54) HTR2CNTRK1MAPK8MAPK9MAPK10
SCHEMBL8165531 0.88 MAPK8 (0.54) HTR2CNTRK1MAPK8MAPK9MAPK10
SCHEMBL1796713 0.87 CAMKK2 (0.43) TYRMAPK8MAPK9MAPK10CAMKK2
SCHEMBL1799521 0.85 MAP3K11 (0.41) HTR2CNTRK1MAPK8MAPK9MAPK10

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 6 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
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 HTR2C 2136/4885TYR 456/4885NTRK1 608/4885

“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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