SCHEMBL20516243

SCHEMBL20516243

O=[N+]([O-])c1c[nH]nc1OCC(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
BLM P54132 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIK2 Q13002 1/20 0.31

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
SCHEMBL31162675 0.84 MYC (0.31) MYCMAXALDH1A1
SCHEMBL18418863 0.77 MAPT (0.42) NPC1RECQLRAB9ALMNAMAPT
SCHEMBL20516141 0.77 LMNA (0.33) NPC1RAB9ALMNAGRIN2DGRIN3B
SCHEMBL31162614 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL20516259 0.77 ALDH1A1 (0.35) NPC1RAB9ACYP3A4MAPTHPGD
SCHEMBL29229329 0.75 GRIN2D (0.32) LMNAGRIN2DGRIN3BCYP1A2CYP3A4
SCHEMBL31074556 0.75 NPC1 (0.36) NPC1RECQLRAB9ALMNAMAPT
SCHEMBL21805105 0.73 LMNA (0.47) NPC1RECQLRAB9ALMNAMAPT
SCHEMBL25690402 0.73 MAPT (0.42) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL25690408 0.73 TXNRD1 (0.38) NPC1RECQLRAB9ALMNAMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP 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
CN-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 CN disclosed
US-11197858-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2021-12-14 US disclosed
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES CARDURION PHARMACEUTICALS, LLC (US) 2020-07-23 US disclosed
CN-110799190-A Heterocyclic compounds 卡都瑞恩医药有限责任公司 2020-02-14 CN disclosed
EP-3600327-A1 HETEROCYCLIC COMPOUND Cardurion Pharmaceuticals, LLC (US) 2020-02-05 EP disclosed
US-10543212-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2020-01-28 US disclosed
US-20180280389-A1 HETEROCYCLIC COMPOUND CARDURION PHARMACEUTICALS, LLC (US) 2018-10-04 US disclosed
WO-2018183112-A1 HETEROCYCLIC COMPOUND CARDURION PHARMACEUTICALS, LLC (US) 2018-10-04 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-11197858-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G NPC1 4610/4885RECQL 3997/4885RAB9A 1881/4885
US-20180280389-A1 HETEROCYCLIC COMPOUND CALM1, CAMK2B, CAMK2G NPC1 4688/4885RECQL 4342/4885RAB9A 1814/4885
US-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS CDK2, CDK1, CCNK NPC1 2825/4885RECQL 899/4885RAB9A 2365/4885
US-10543212-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G NPC1 4610/4885RECQL 3997/4885RAB9A 1881/4885
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES TNNI3, CALM1, CAMK2G NPC1 4610/4885RECQL 3997/4885RAB9A 1881/4885

“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.