SCHEMBL22396173

SCHEMBL22396173

Nc1nc2c(s1)CCN(C(=O)c1cc3ccccc3[nH]1)CC2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ SCN4A P35499 2/20 0.57
▸ SCN9A Q15858 2/20 0.57
▸ HRH4 Q9H3N8 6/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SCN3A Q9NY46 1/20 0.54
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ AKR1C3 P42330 3/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ MAPK14 Q16539 1/20 0.47

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
SCHEMBL22396083 0.84 SCN4A (0.53) DRD2DRD3SCN4ASCN9AHRH4
SCHEMBL22396152 0.80 HRH4 (0.53) DRD3HRH4HRH3POLBSMN1; SMN2
SCHEMBL22396240 0.80 HRH4 (0.53) HRH4HRH3POLBSMN1; SMN2CA12
SCHEMBL29496399 0.80 HRH4 (0.53) DRD3HRH4HRH3POLBSMN1; SMN2
SCHEMBL22396162 0.80 HRH4 (0.50) DRD2DRD3HRH4HRH3POLB
SCHEMBL22396264 0.79 MAPK14 (0.56) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL22633524 0.79 KMT2A (0.60) HRH4HRH3POLB
SCHEMBL22396271 0.79 HRH4 (0.54) DRD2DRD3SCN4ASCN9AHRH4
SCHEMBL22396103 0.79 HRH4 (0.49) DRD2DRD3HRH4HRH3POLB
SCHEMBL22633510 0.79 MMP9 (0.46) DRD2DRD3SCN4ASCN9AHRH4

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 DRD2 4223/4885DRD3 4358/4885SCN4A 4343/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 DRD2 4367/4885DRD3 4469/4885SCN4A 4473/4885

“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.

Send feedback