SCHEMBL22396246

SCHEMBL22396246

O=C(c1cc2ccccc2[nH]1)N1CCc2nc(CNCC3CCOC3)sc2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 8/20 0.44
MAPK14 Q16539 1/20 0.42
SCN4A P35499 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN3A Q9NY46 1/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
MMP9 P14780 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL22633664 0.90 POLB (0.46) GRM5POLBSMN1; SMN2AKR1C3MAPK14
SCHEMBL22633721 0.88 POLB (0.46) GRM5POLBSMN1; SMN2AKR1C3MAPK14
SCHEMBL22395910 0.87 GRM5 (0.45) GRM5POLBSMN1; SMN2AKR1C3MAPK14
SCHEMBL22395873 0.85 POLB (0.44) GRM5POLBSMN1; SMN2AKR1C3MAPK14
SCHEMBL22633671 0.84 HRH4 (0.49) GRM5POLBSMN1; SMN2AKR1C3MAPK14
SCHEMBL22395956 0.83 HRH4 (0.48) POLBSMN1; SMN2AKR1C3MAPK14DRD2
SCHEMBL22396251 0.83 AKR1C3 (0.46) POLBSMN1; SMN2AKR1C3MAPK14SCN4A
SCHEMBL22395979 0.83 GRM5 (0.50) GRM5POLBSMN1; SMN2AKR1C3MAPK14
SCHEMBL22396139 0.83 POLB (0.46) POLBSMN1; SMN2AKR1C3MAPK14SCN4A
SCHEMBL22633518 0.82 POLB (0.48) GRM5POLBSMN1; SMN2AKR1C3MAPK14

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-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-08 US disclosed
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 US disclosed
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 US disclosed
EP-3704127-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2020-09-09 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 (2 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-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 GRM5 3507/4885POLB 895/4885SMN1; SMN2 4881/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 GRM5 3346/4885POLB 655/4885SMN1; SMN2 4879/4885

“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.