SCHEMBL13609200

SCHEMBL13609200

Cn1cc(C#N)c2cc(-c3ccccc3Oc3ccccc3)cnc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.44
▸ FYN P06241 1/20 0.43
▸ CAMKK2 Q96RR4 2/20 0.41
▸ AR P10275 1/20 0.41
▸ MAP2K1 Q02750 6/20 0.40
▸ RAF1 P04049 5/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ CHRM4 P08173 1/20 0.38

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
SCHEMBL13609250 0.83 BRD4 (0.47) BRD4FYNCAMKK2
SCHEMBL13609249 0.82 CAMKK2 (0.45) BRD4FYNCAMKK2
SCHEMBL13609304 0.80 CAMKK2 (0.37) BRD4FYNCAMKK2ARMAP2K1
SCHEMBL4199507 0.75 CAMKK2 (0.61) BRD4FYNCAMKK2ARMAP2K1
SCHEMBL15257723 0.70 LRRK2 (0.48) —
SCHEMBL13609196 0.69 FYN (0.36) BRD4FYNCAMKK2
SCHEMBL13745693 0.69 FYN (0.41) BRD4FYNCAMKK2SCN9A
SCHEMBL12616604 0.68 IMPDH2 (0.41) BRD4IMPDH2
SCHEMBL8321910 0.67 CAMKK2 (0.42) BRD4FYNCAMKK2
SCHEMBL1487576 0.67 HTR6 (0.45) BRD4FYNCAMKK2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612086-B2 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO. LTD. (JP) 2009-11-03 — — US disclosed
US-20070142366-A1 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-06-21 — — 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 (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-20070142366-A1 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation API5, MAP3K5, MAP3K7 BRD4 469/4885FYN 604/4885CAMKK2 83/4885

“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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