SCHEMBL22396103

SCHEMBL22396103

NCc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MAPK14 Q16539 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AKR1C3 P42330 4/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL22396045 0.91 HRH4 (0.50) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL22633671 0.85 HRH4 (0.49) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL22633496 0.85 HDAC6 (0.45) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL29496399 0.85 HRH4 (0.53) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL22396152 0.85 HRH4 (0.53) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL22396240 0.85 HRH4 (0.53) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL22396251 0.85 AKR1C3 (0.46) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL22395956 0.85 HRH4 (0.48) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL22633506 0.85 POLB (0.56) HRH4HRH3MAPK14POLBSMN1; SMN2
SCHEMBL22396162 0.84 HRH4 (0.50) HRH4HRH3MAPK14POLBSMN1; SMN2

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 HRH4 1649/4885HRH3 1278/4885MAPK14 1907/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 HRH4 1490/4885HRH3 1055/4885MAPK14 1873/4885

“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.