SCHEMBL22615289

SCHEMBL22615289

CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3cscn3)c2C1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ BRD4 O60885 2/20 0.42
▸ CREBBP Q92793 2/20 0.42
▸ ESR2 Q92731 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ EP300 Q09472 1/20 0.35

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
SCHEMBL12298810 0.81 BRD4 (0.47) MAPK1BRD4CREBBPESR2NPC1
SCHEMBL17868190 0.81 GPR119 (0.44) MAPK1BRD4CREBBPESR2ADORA1
SCHEMBL10211781 0.81 MAPK1 (0.55) MAPK1BRD4CREBBPNPC1P2RX7
SCHEMBL17868262 0.80 ALDH1A1 (0.32) PARP1MAPT
SCHEMBL17868237 0.80 P2RX7 (0.33) PARP1MAPTP2RX7
SCHEMBL4712216 0.80 MAPK1 (0.56) MAPK1BRD4CREBBPESR2NPC1
SCHEMBL10095067 0.79 BRD4 (0.67) MAPK1BRD4CREBBPNPC1P2RX7
SCHEMBL16033973 0.79 P2RX7 (0.55) ESR2ADORA1PARP1TNKS2PARP2
SCHEMBL17785628 0.78 ESR2 (0.42) MAPK1BRD4CREBBPESR2ADORA1
SCHEMBL17794517 0.78 NR1H2 (0.47) MAPK1BRD4CREBBPESR2ADORA1

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 MAPK1 1530/4885BRD4 3/4885CREBBP 344/4885

“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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