SCHEMBL3188249

SCHEMBL3188249

N#Cc1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.40
MAPT P10636 3/20 0.39
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
GRM6 O15303 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSB P07858 2/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
Acetonitrile SCHEMBL28826009 0.73 KDM4E (0.37) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL11487530 0.71 DPP4 (0.44) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL43356 0.70 GPR35 (0.38) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL3585568 0.68
SCHEMBL21544010 0.68
SCHEMBL25433762 0.68
SCHEMBL4111984 0.68
SCHEMBL266568 0.68
SCHEMBL7760580 0.68
SCHEMBL25690531 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709486-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 Celgene Corporation (US) 2026-03-18 EP disclosed
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-10-23 US disclosed
EP-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-01-02 US disclosed
US-12168057-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2024-12-17 US disclosed
WO-2024233748-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 CELGENE CORPORATION (US) 2024-11-14 WO disclosed
US-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-10-31 US disclosed
WO-2024171094-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-08-22 WO disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2015180685-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 北京浦润奥生物科技有限责任公司 2015-12-03 WO disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 WO disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed
US-7666851-B1 Three ring fused analogs of isoguanosine BENNER STEVEN ALBERT 2010-02-23 US disclosed
EP-0201188-A2 5-Substituted pyrazolo[4,3-d] pyrimidine-7-ones, process for preparing the compounds and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1986-12-17 EP 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-20250325673-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 VCAM1 3606/4885MAPT 2459/4885GRIA1 2324/4885
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 VCAM1 3606/4885MAPT 2459/4885GRIA1 2324/4885
US-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB VCAM1 2341/4885MAPT 4717/4885GRIA1 3725/4885
US-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS CDK2, CDK1, CCNK VCAM1 1687/4885MAPT 2518/4885GRIA1 3047/4885
US-12168057-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 VCAM1 3606/4885MAPT 2459/4885GRIA1 2324/4885

“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.