SCHEMBL3326323

SCHEMBL3326323

Cc1c(C#N)cccc1B(O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
NISCH Q9Y2I1 1/20 0.39
ENPP2 Q13822 3/20 0.38
NOTUM Q6P988 1/20 0.37
AR P10275 3/20 0.36
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PDK2 Q15119 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL29383413 1.00 TSHR (0.45) TSHRNISCHENPP2NOTUMAR
SCHEMBL11608 0.80 TSHR (0.50) TSHRENPP2NOTUMALDH1A1CA1
SCHEMBL29468918 0.80 TSHR (0.50) TSHRENPP2NOTUMALDH1A1CA1
SCHEMBL819145 0.79 TSHR (0.59) TSHRNISCHARALDH1A1CA1
SCHEMBL21143321 0.79 TSHR (0.40) TSHRENPP2NOTUMALDH1A1CA1
SCHEMBL7375093 0.79 TSHR (0.40) TSHRENPP2NOTUMALDH1A1CA1
SCHEMBL19785358 0.78 TSHR (0.39) TSHRENPP2NOTUMARPDK2
SCHEMBL29955943 0.78 TSHR (0.39) TSHRENPP2NOTUMARPDK2
SCHEMBL561951 0.78 NOTUM (0.39) TSHRENPP2NOTUMARALDH1A1
SCHEMBL18340951 0.78 TSHR (0.39) TSHRENPP2NOTUMALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663626-A1 IMINE COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Bio Genuine (Shanghai) Biotech Co., Ltd (CN) 2025-12-17 EP disclosed
EP-4620533-A2 ANTAGONIST COMPOUNDS Adorx therapeutics Limited (GB) 2025-09-24 EP disclosed
US-20250270244-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING MATERIAL FOR TOP EMISSION, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2025-08-28 US disclosed
EP-4188924-B1 ANTAGONIST COMPOUNDS ADORX THERAPEUTICS LTD (GB) 2025-06-18 EP disclosed
US-20250188073-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORP (US) 2025-06-12 US disclosed
US-12325716-B2 Organometallic complex, light-emitting material for top emission, light-emitting device, light-emitting apparatus, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2025-06-10 US disclosed
US-20250179000-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2025-06-05 US disclosed
EP-4548918-A2 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2025-05-07 EP disclosed
US-20250040336-A1 Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO, LTD. (JP) 2025-01-30 US disclosed
US-12120900-B2 Light-emitting device, light-emitting apparatus, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-10-15 US disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US disclosed
CN-1370176-A Subsstituted heterocycle fused gamma-carbolines BRISTOL MYERS SQUIBB CO (US) 2002-09-18 CN disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 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 (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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 TSHR 305/4885NISCH 684/4885ENPP2 815/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 TSHR 305/4885NISCH 684/4885ENPP2 815/4885
US-12325716-B2 Organometallic complex, light-emitting material for top emission, light-emitting device, light-emitting apparatus, electronic device, and lighting device CRY1, LIG4, LIG1 TSHR 3621/4885NISCH 3000/4885ENPP2 4365/4885
US-20250179000-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF GRM3, GRM2, GRM1 TSHR 565/4885NISCH 3720/4885ENPP2 1040/4885
US-20250270244-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING MATERIAL FOR TOP EMISSION, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE CRY1, LIG4, LIG1 TSHR 3621/4885NISCH 3000/4885ENPP2 4365/4885
US-20250188073-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS TSHR 4621/4885NISCH 3699/4885ENPP2 2349/4885

“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.