SCHEMBL22633671

SCHEMBL22633671

CCNCc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.49
AKR1C3 P42330 4/20 0.46
MAPK14 Q16539 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HDAC6 Q9UBN7 2/20 0.43
GRM5 P41594 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL22395956 0.90 HRH4 (0.48) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22396045 0.86 HRH4 (0.50) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22396251 0.86 AKR1C3 (0.46) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22396143 0.86 MAPK14 (0.42) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22396103 0.85 HRH4 (0.49) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22396246 0.84 GRM5 (0.46) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22633707 0.82 AKR1C3 (0.48) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22396052 0.82 HRH4 (0.52) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22396152 0.81 HRH4 (0.53) HRH4AKR1C3MAPK14HRH3POLB
SCHEMBL22396240 0.81 HRH4 (0.53) HRH4AKR1C3MAPK14HRH3POLB

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-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

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 1649/4885AKR1C3 3932/4885MAPK14 1907/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 HRH4 1490/4885AKR1C3 3706/4885MAPK14 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.