SCHEMBL4209885

SCHEMBL4209885

N#Cc1cn(S(=O)(=O)c2ccccc2)c2ncc(-c3cccs3)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ GBA1 P04062 4/20 0.37
▸ MAOB P27338 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL8321214 0.84 BRD4 (0.59) BRD4CHEK1GBA1MAOBHPGD
SCHEMBL8321770 0.80 BRD4 (0.41) BRD4CHEK1GBA1MAOBCLK1
SCHEMBL13746140 0.80 BRD4 (0.43) BRD4CHEK1GBA1MAOBHPGD
SCHEMBL9280138 0.79 PDPK1 (0.49) BRD4HTR6
SCHEMBL8298982 0.79 BRD4 (0.41) BRD4HTR6CYP2C19
SCHEMBL4199152 0.79 BRD4 (0.41) BRD4HTR6CYP2C19
SCHEMBL1487581 0.79 BRD4 (0.43) BRD4GBA1MAOBHPGDALDH1A1
SCHEMBL4203368 0.78 BRD4 (0.44) BRD4ALDH1A1HTR6
SCHEMBL13745615 0.78 BRD4 (0.42) BRD4GBA1MAOBHPGDCLK1
SCHEMBL13620692 0.78 CHEK1 (0.50) CHEK1MAOBCSNK2A1CLK1CDK8

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-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-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
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
EP-1628975-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2006-03-01 — — EP disclosed
WO-2004101565-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-11-25 — — WO disclosed
WO-2004101565-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-11-25 — — 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-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 469/4885CHEK1 396/4885GBA1 4208/4885

“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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