SCHEMBL8404437

SCHEMBL8404437

Cc1cccc2[nH]nc(C)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.54
▸ MAP2K4 P45985 1/20 0.54
▸ MAPKAPK2 P49137 1/20 0.54
▸ MAPK6 Q16659 1/20 0.54
▸ CYP1A2 P05177 3/20 0.46
▸ ADRA2A P08913 1/20 0.45
▸ PDPK1 O15530 2/20 0.41
▸ GPR84 Q9NQS5 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDR P35968 3/20 0.38
▸ KIT P10721 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 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
SCHEMBL30548041 0.79 MAPK1 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2
SCHEMBL14631680 0.79 MAPK1 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2
SCHEMBL28445675 0.79 MAPK1 (0.60) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2
SCHEMBL12866145 0.79 MAP2K4 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2
SCHEMBL569660 0.79 GAA (0.61) MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A
SCHEMBL24455090 0.79 MAPK1 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2
SCHEMBL31190844 0.79 MAPK1 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2
SCHEMBL2614375 0.79 GAA (0.61) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2
SCHEMBL13701011 0.79 CYP1A2 (0.43) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2
SCHEMBL7737948 0.79 CYP1A2 (0.43) MAPK1MAP2K4MAPKAPK2MAPK6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 — — WO disclosed
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — US disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — US disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 — — US disclosed
WO-2022109179-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
WO-2021262990-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
EP-3896064-A1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS Gilead Sciences, Inc. (US) 2021-10-20 — — EP disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 — — EP disclosed
EP-3456717-B1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVE AS CANCER OSAKA THYROID (COT) MODULATOR FOR TREATING INFLAMMATORY DISEASE GILEAD SCIENCES INC (US) 2021-03-17 — — EP disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 — — US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 — — US disclosed
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2010-08-26 — — US disclosed
US-7714017-B2 for prostaglandin-mediated disorders; (E)-3-[1-(2,4-Dichloro-benzyl)-3,3-bis-hydroxymethyl-2-oxo-2,3-dihydro-1H-indol-7-yl]-acrylic acid DECODE GENETICS, EHF (IS) 2010-05-11 — — US disclosed
US-7714017-B2 for prostaglandin-mediated disorders; (E)-3-[1-(2,4-Dichloro-benzyl)-3,3-bis-hydroxymethyl-2-oxo-2,3-dihydro-1H-indol-7-yl]-acrylic acid DECODE GENETICS, EHF (IS) 2010-05-11 — — US disclosed
US-20100087502-A1 Indazoles Used To Treat Estrogen Receptor Beta Mediated Disorders GLAXO GROUP LIMITED (GB) 2010-04-08 — — US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 — — US disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 — — WO disclosed
CN-1144796-C Intermediates and process for preparation of optically active octanoic acid derivs. СҰҩƷ��ҵ��ʽ���� 2004-04-07 — — CN disclosed
CN-1309652-A Intermediates and process for preparation of optically active octanoic acid derivs. ONO PHARMACEUTICAL CO (JP) 2001-08-22 — — CN 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-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 MAPK1 2841/4885MAP2K4 4829/4885MAPKAPK2 4774/4885
US-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS MAPK1 146/4885MAP2K4 340/4885MAPKAPK2 1080/4885
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA MAPK1 311/4885MAP2K4 735/4885MAPKAPK2 42/4885
US-20100087502-A1 Indazoles Used To Treat Estrogen Receptor Beta Mediated Disorders GPER1, ESR2, ESRRB MAPK1 4030/4885MAP2K4 4188/4885MAPKAPK2 2979/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 MAPK1 65/4885MAP2K4 672/4885MAPKAPK2 364/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 MAPK1 2815/4885MAP2K4 4857/4885MAPKAPK2 4511/4885

“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.

Send feedback