SCHEMBL348514

SCHEMBL348514

COC(=O)c1ccc2c(Br)n[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.54
KIF11 P52732 2/20 0.52
PARP1 P09874 3/20 0.49
DYRK1A Q13627 2/20 0.48
RAB9A P51151 1/20 0.48
CSNK2A1 P68400 1/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 3/20 0.44
STAT3 P40763 1/20 0.44
HIF1A Q16665 1/20 0.44
FLT3 P36888 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44

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
SCHEMBL9985941 0.88 KDM4E (0.54) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL30159687 0.83 MAP2K4 (0.56) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL31750236 0.83 MAP2K4 (0.56) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL1501576 0.83 MAP2K4 (0.56) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL4404846 0.83 MAP2K4 (0.56) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL2671565 0.83 MAP2K4 (0.59) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL2671519 0.82 MAP2K4 (0.54) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL30159476 0.82 MAP2K4 (0.54) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL12491369 0.82 MAP2K4 (0.61) MAP2K4KIF11PARP1DYRK1ARAB9A
Methyl Alcohol SCHEMBL6305572 0.82 MAP2K4 (0.54) MAP2K4KIF11PARP1DYRK1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025129167-A1 INHIBITORS OF THE SURFACE EXPRESSION OF THE VOLTAGE-GATED SODIUM ION CHANNEL 1.7 (NAV1.7) AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed
WO-2025053379-A1 NOVEL COMPOUND AND USE THEREOF FOR TREATING PSORIASIS 광주과학기술원 2025-03-13 WO disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115260180-B Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-05-28 CN disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 US disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
EP-2411001-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 US disclosed
US-20010044535-A1 Integrin antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-11-22 US disclosed
EP-1054871-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP disclosed
WO-1999050249-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-07 WO disclosed
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 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 (6 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 MAP2K4 1444/4885KIF11 1509/4885PARP1 3636/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 MAP2K4 2167/4885KIF11 3599/4885PARP1 230/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MAP2K4 2167/4885KIF11 3599/4885PARP1 230/4885
US-20010044535-A1 Integrin antagonists ITGB3, VCAM1, ITGB2 MAP2K4 1483/4885KIF11 4846/4885PARP1 1762/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MAP2K4 3006/4885KIF11 4684/4885PARP1 2072/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 MAP2K4 2167/4885KIF11 3599/4885PARP1 230/4885

“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.