SCHEMBL1799492

SCHEMBL1799492

O=C(c1nc(-c2c[nH]c3ncc(C4=CCCC4)cc23)cs1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 3/20 0.40
▸ MAP3K11 Q16584 4/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ ATP4A P20648 2/20 0.36
▸ ATP4B P51164 2/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ KIT P10721 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL1798275 0.92 NTRK1 (0.47) MAP3K11NTRK1HTR2CKITHDAC3
SCHEMBL1801257 0.92 MAP3K11 (0.46) TNIKMAP3K11NTRK1CDK5CDK5R1
SCHEMBL1801628 0.87 AXL (0.40) TNIKNTRK1CDK5CLK1DYRK1A
SCHEMBL1799165 0.84 AXL (0.49) TNIKMAP3K11
SCHEMBL1798655 0.82 CYP3A4 (0.44) TNIKMAP3K11NTRK1CDK5CDK5R1
SCHEMBL1799494 0.81 TNIK (0.39) TNIKMAP3K11NTRK1CDK5CDK5R1
SCHEMBL1801623 0.79 MAP3K11 (0.44) TNIKMAP3K11NTRK1
SCHEMBL1799160 0.79 HTR2C (0.38) TNIKMAP3K11NTRK1CDK5CDK5R1
SCHEMBL4409012 0.79 MAP4K1 (0.53) TNIKMAP3K11CLK1DYRK1A
SCHEMBL1802608 0.79 NTRK1 (0.45) MAP3K11NTRK1HTR2CKIT

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 TNIK 93/4885MAP3K11 19/4885NTRK1 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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