SCHEMBL1870652

SCHEMBL1870652

COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.38
BTK Q06187 3/20 0.38
EGFR P00533 2/20 0.38
LPL P06858 4/20 0.36
LIPG Q9Y5X9 4/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CSF1R P07333 1/20 0.35
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL31648196 0.89 JAK2 (0.36) JAK2BTKEGFRLPLLIPG
SCHEMBL28147238 0.84 EGFR (0.39) EGFRLPLLIPGCA1CA2
SCHEMBL19610355 0.84 CSF1R (0.36) JAK2BTKEGFRLPLLIPG
SCHEMBL30237979 0.84 CA1 (0.44) EGFRLPLLIPGCA1CA2
SCHEMBL2774133 0.84 CA1 (0.44) EGFRLPLLIPGCA1CA2
SCHEMBL11927624 0.83 LPL (0.44) JAK2BTKLPLLIPGCA1
SCHEMBL26111453 0.82 MAPT (0.38) JAK2BTKLPLLIPGMEN1
SCHEMBL30594507 0.82 MAPT (0.38) JAK2BTKLPLLIPGMEN1
SCHEMBL17669262 0.82 HTR1B (0.35) JAK2BTKEGFRLPLLIPG
SCHEMBL18117642 0.81 EGFR (0.37) JAK2BTKEGFRLPLLIPG

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
US-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY THERAPEUTICS, LLC (US) 2025-11-04 US disclosed
WO-2025080653-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUNDS ACTING AGAINST CANCERS, INFLAMMATORY DISEASES, AND FIBROTIC DISEASE VIA INTERACTION WITH RAS SUPERFAMILY PROTEINS SHY THERAPEUTICS, LLC (US) 2025-04-17 WO disclosed
EP-4504341-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE Shy Therapeutics LLC (US) 2025-02-12 EP disclosed
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2024-10-31 US disclosed
US-20240327375-A1 SUBSTITUTED HETEROBICYCLIC DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTOR ADDEX PHARMA S.A. (CH) 2024-10-03 US disclosed
EP-4337643-A1 SUBSTITUTED HETEROBICYCLIC DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTOR Addex Pharma S.A (CH) 2024-03-20 EP disclosed
CN-117597331-A Substituted heterobicyclic derivatives as MGLU7 receptor negative allosteric modulators 阿德克斯法尔马股份公司 2024-02-23 CN disclosed
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
EP-3750883-B1 AMINOALKYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2023-10-04 EP disclosed
CN-111655675-B Aminoalkyl compounds 第一三共株式会社 2023-09-22 CN disclosed
US-8497281-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2013-07-30 US disclosed
EP-2496559-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Vitae Pharmaceuticals, Inc. (US) 2012-09-12 EP disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012061708-A1 CRYSTALLINE FORMS OF HYDROCHLORIDE SALT OF (4A-R,9A-S) -1- (1H - BENZOIMIDAZOLE- 5 -CARBONYL) -2, 3, 4, 4A, 9, 9A - HEXAHYDRO -1H- INDENO [2, 1 -B] PYRIDINE- 6 -CARBONITRILE AND THEIR USE AS HSD 1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 WO disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 US disclosed
WO-2011057054-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE VITAE PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
EP-1250326-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2002-10-23 EP disclosed
WO-2001053268-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (5 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-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 JAK2 2187/4885BTK 3689/4885EGFR 4760/4885
US-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease KRAS, HRAS, NRAS JAK2 1824/4885BTK 2141/4885EGFR 591/4885
US-20240327375-A1 SUBSTITUTED HETEROBICYCLIC DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTOR GRM7, GRM2, GRM1 JAK2 1684/4885BTK 4437/4885EGFR 1307/4885
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 JAK2 2187/4885BTK 3689/4885EGFR 4760/4885
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, HRAS, NRAS JAK2 1824/4885BTK 2141/4885EGFR 591/4885

“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.