SCHEMBL22615369

SCHEMBL22615369

CC(NC(=O)c1onc2c1CN(C(=O)c1cc3ccccn3c1)CC2)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MTHFD2 P13995 1/20 0.34
▸ PRLHR P49683 9/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NFKB2 Q00653 2/20 0.33
▸ RELA Q04206 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ SLC28A2 O43868 1/20 0.32

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
SCHEMBL22615212 0.87 HSP90AA1 (0.42) CHRNA7NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22615213 0.85 GSK3B (0.37) CHRNA7NPC1RAB9AMTHFD2PRLHR
SCHEMBL22615211 0.85 GSK3B (0.37) CHRNA7NPC1RAB9AMTHFD2PRLHR
SCHEMBL22615328 0.85 GSK3B (0.37) CHRNA7NPC1RAB9AMTHFD2PRLHR
SCHEMBL29425103 0.78 CFTR (0.44) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22615439 0.78 CFTR (0.44) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22615438 0.78 CFTR (0.44) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22615263 0.75 NTRK1 (0.36) CHRNA7
SCHEMBL22615322 0.74 CHRNA7 (0.34) CHRNA7NPC1RAB9AMTHFD2PRLHR
SCHEMBL29425173 0.74 HRH4 (0.46) L3MBTL1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227789-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 — — US disclosed
EP-3962913-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 — — EP disclosed
WO-2020221824-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 — — WO disclosed
WO-2020221824-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 — — 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 (1 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-20220227789-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 CHRNA7 4715/4885NPC1 2412/4885RAB9A 2618/4885

“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.

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