SCHEMBL22615401

SCHEMBL22615401

CCOC(=O)c1[nH]nc2c1CN(C(=O)c1cc3ccccn3c1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ HSP90AA1 P07900 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PARP1 P09874 1/20 0.34
▸ MTHFD2 P13995 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ EP300 Q09472 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
SCHEMBL22615579 0.86 MTHFD2 (0.40) MTHFD2
SCHEMBL22615399 0.79 CHRNA7 (0.35) MTHFD2EP300CREBBP
SCHEMBL22615328 0.79 GSK3B (0.37) MTHFD2
SCHEMBL22615213 0.79 GSK3B (0.37) MTHFD2
SCHEMBL22615580 0.79 PRMT5 (0.37) MTHFD2MMP9
SCHEMBL22615322 0.79 CHRNA7 (0.34) RIPK1MTHFD2
SCHEMBL22615211 0.79 GSK3B (0.37) MTHFD2
SCHEMBL22718305 0.79 TSHR (0.49) AURKAMAPK10RIPK1HSP90AA1MAPT
SCHEMBL22615482 0.79 NAMPT (0.38) PARP1MTHFD2
SCHEMBL22615335 0.77 DDR1 (0.34) MTHFD2EP300CREBBP

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 3 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

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 AURKA 405/4885MAPK10 1947/4885RIPK1 151/4885

“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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