SCHEMBL4405852

SCHEMBL4405852

Cn1cc(I)c2cc(Br)cnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 1/20 0.40
HASPIN Q8TF76 1/20 0.40
PDK1 Q15118 5/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
DYRK1B Q9Y463 3/20 0.32
AURKA O14965 2/20 0.32
JAK2 O60674 2/20 0.32
MAP4K4 O95819 2/20 0.32
IGF1R P08069 2/20 0.32
FGFR1 P11362 2/20 0.32
FLT1 P17948 2/20 0.32
KDR P35968 2/20 0.32
CLK2 P49760 2/20 0.32
JAK3 P52333 2/20 0.32
LIMK1 P53667 2/20 0.32
CDK5 Q00535 2/20 0.32
MAP4K2 Q12851 2/20 0.32

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
SCHEMBL17211632 0.80 BRD4 (0.55) BRD4HASPIN
SCHEMBL14884084 0.80 HSD17B10 (0.43) BRD4HSD17B10GSK3BPDK1HSP90AA1
SCHEMBL22554076 0.79 BRD4 (0.50) BRD4GSK3BHASPINCDK5DYRK1A
SCHEMBL20610577 0.79 HSD17B10 (0.42) BRD4HSD17B10GSK3BPDK1HSP90AA1
SCHEMBL21622427 0.79 HSD17B10 (0.42) BRD4HSD17B10GSK3BPDK1HSP90AA1
SCHEMBL24331224 0.79 BRD4 (0.50) BRD4GSK3BHASPINPDK1HSP90AA1
SCHEMBL12652508 0.79 HSD17B10 (0.35) BRD4HSD17B10DYRK1BAURKAJAK2
SCHEMBL31513446 0.79 BRD4 (0.50) BRD4GSK3BHASPINCDK5DYRK1A
SCHEMBL12640273 0.76 MTNR1A (0.50) BRD4HSD17B10GSK3BHASPINPDK1
SCHEMBL23125631 0.76 HSD17B10 (0.33) BRD4HSD17B10DYRK1BAURKAJAK2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519409-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION GILEAD SCIENCES INC (US) 2024-09-18 EP disclosed
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 US disclosed
US-20210078991-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10800772-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-10-13 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 US disclosed
WO-2018064080-A1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION GILEAD SCIENCES, INC. (US) 2018-04-05 WO disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
WO-2014085795-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIVERSITY OF ROCHESTER (US) 2014-06-05 WO disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 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 (9 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-10800772-B2 Therapeutic compounds NQO1, HAVCR2, CCR5 BRD4 1818/4885HSD17B10 1031/4885GSK3B 1383/4885
US-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1928/4885HSD17B10 1005/4885GSK3B 1719/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1928/4885HSD17B10 1005/4885GSK3B 1719/4885
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 469/4885HSD17B10 3717/4885GSK3B 537/4885
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 BRD4 780/4885HSD17B10 3187/4885GSK3B 369/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1339/4885HSD17B10 2516/4885GSK3B 227/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 BRD4 1103/4885HSD17B10 2718/4885GSK3B 313/4885
US-20210078991-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1818/4885HSD17B10 1031/4885GSK3B 1383/4885
US-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1818/4885HSD17B10 1031/4885GSK3B 1383/4885

“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.