SCHEMBL2118728

SCHEMBL2118728

COCc1ccnc(N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.64
NOS2 P35228 4/20 0.64
NOS1 P29475 3/20 0.64
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL29883563 1.00 NOS3 (0.64) NOS3NOS2NOS1GABRPGABRD
SCHEMBL16316855 0.82 NOS3 (0.63) NOS3NOS2NOS1GABRPGABRD
SCHEMBL20288434 0.81 NOS3 (0.56) NOS3NOS2NOS1GABRPGABRD
SCHEMBL13302576 0.81 NOS3 (0.56) NOS3NOS2NOS1GABRPGABRD
SCHEMBL28056162 0.81 MAOA (0.44) NOS3NOS2NOS1DYRK1ALOX
SCHEMBL2610398 0.79 GRM5 (0.47) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL30340594 0.79 GRM5 (0.47) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL91489 0.78
SCHEMBL19251203 0.78 NOS3 (0.53) NOS3NOS2NOS1GABRPGABRD
SCHEMBL19388852 0.78 NOS3 (0.53) NOS3NOS2NOS1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use AMGEN INC. (US) 2025-11-18 US disclosed
EP-3848370-B1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2025-05-07 EP disclosed
WO-2023160475-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海赛默罗生物科技有限公司 2023-08-31 WO disclosed
CN-115448916-A TYK2 inhibitor and application thereof 林伯士拉克许米公司 2022-12-09 CN disclosed
CN-109952303-B TYK2 inhibitor and application thereof 林伯士拉克许米公司 2022-10-21 CN disclosed
EP-4065579-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2022-10-05 EP disclosed
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
EP-3526222-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2022-08-17 EP disclosed
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 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 (4 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD NOS3 3183/4885NOS2 4131/4885NOS1 3992/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 NOS3 1630/4885NOS2 1763/4885NOS1 1543/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use SCD5, SCD, FADS2 NOS3 1964/4885NOS2 2171/4885NOS1 1903/4885

“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.