SCHEMBL956094

SCHEMBL956094

OB(O)c1cccnc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
ELANE P08246 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MGLL Q99685 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
SSTR4 P31391 2/20 0.33
EPHX2 P34913 1/20 0.33
DHODH Q02127 1/20 0.33
GAA P10253 1/20 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
SCHEMBL29889397 1.00 HTT (0.36) HTTHSD17B10HDAC6ELANEKDM4E
SCHEMBL27194760 0.86 GRM4 (0.33) KDM4ESSTR4GAA
SCHEMBL15533151 0.78 SSTR4 (0.32) HCRTR1HCRTR2SSTR4
SCHEMBL25707523 0.74 HTT (0.35) HTTHSD17B10MGLL
SCHEMBL30050607 0.74 HTT (0.35) HTTHSD17B10MGLL
SCHEMBL29955831 0.74 HTT (0.35) HTTHSD17B10MGLL
SCHEMBL29952041 0.74 HTT (0.35) HTTHSD17B10MGLL
SCHEMBL29951895 0.73 HTT (0.41) HTTHSD17B10MGLL
SCHEMBL5128448 0.73 SSTR4 (0.37) SSTR4DHODH
SCHEMBL12097746 0.73 SCN9A (0.41) HCRTR1HCRTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
US-12577227-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2026-03-17 US disclosed
US-20250195480-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS Fulcrum Therapeutics, Inc. 2025-06-19 US disclosed
US-20250188073-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORP (US) 2025-06-12 US disclosed
US-20250145595-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNITED STATES GOVERNMENT 2025-05-08 US disclosed
EP-4548918-A2 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2025-05-07 EP disclosed
WO-2024217500-A1 ISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-24 WO disclosed
US-20240343741-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-10-17 US disclosed
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators Bial—R&D Investments, S.A. (PT) 2024-10-15 US disclosed
US-12109198-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators Fulcrum Therapeutics, Inc. (US) 2024-10-08 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
WO-2011036284-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed
EP-2291371-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
US-20100171111-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-07-08 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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 (12 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-20100171111-A1 ORGANIC ELECTROLUMINESCENT DEVICE NDUFS3, NDUFS2, NDUFS4 HTT 4646/4885HSD17B10 4215/4885HDAC6 4666/4885
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 HTT 3496/4885HSD17B10 25/4885HDAC6 1152/4885
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators GBA1, GALC, GBA3 HTT 326/4885HSD17B10 3819/4885HDAC6 613/4885
US-12109198-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators EED, EZH2, BMI1 HTT 3464/4885HSD17B10 3300/4885HDAC6 732/4885
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 HTT 4782/4885HSD17B10 1841/4885HDAC6 4144/4885
US-20250195480-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS EED, EZH2, BMI1 HTT 3464/4885HSD17B10 3300/4885HDAC6 732/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS HTT 4398/4885HSD17B10 3711/4885HDAC6 3231/4885
US-20240343741-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS LRRK2, PARK7, PINK1 HTT 169/4885HSD17B10 3212/4885HDAC6 615/4885
US-20250188073-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS HTT 2827/4885HSD17B10 2884/4885HDAC6 1769/4885
US-12577227-B2 WDR5 inhibitors and modulators WDR1, WDR5, WDR3 HTT 3977/4885HSD17B10 2146/4885HDAC6 454/4885
US-20250145595-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM3, CHRM5 HTT 3217/4885HSD17B10 4276/4885HDAC6 1228/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HTT 3072/4885HSD17B10 21/4885HDAC6 1011/4885

“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.