SCHEMBL22396160

SCHEMBL22396160

Nc1nc2c(s1)CN(C(=O)c1cc3c(Cl)ccc(Cl)c3[nH]1)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.39
MAPK14 Q16539 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HRH4 Q9H3N8 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HSP90AB1 P08238 1/20 0.36
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL22396346 0.92 HRH4 (0.44) GRM5MAPK14HRH4MEN1KMT2A
SCHEMBL22633778 0.88 GRM5 (0.41) GRM5MAPK14HRH4MEN1KMT2A
SCHEMBL22633685 0.87 HRH4 (0.54) GRM5MAPK14HDAC6HRH4DRD2
SCHEMBL22395924 0.87 HRH4 (0.40) GRM5MAPK14HDAC6HRH4MEN1
SCHEMBL22633564 0.86 HRH4 (0.53) GRM5MAPK14HDAC6HRH4MEN1
SCHEMBL22395742 0.86 HRH4 (0.41) GRM5MAPK14HRH4DRD2DRD3
SCHEMBL22633519 0.86 HRH4 (0.53) GRM5MAPK14HDAC6HRH4MEN1
SCHEMBL22395718 0.85 HRH4 (0.39) GRM5MAPK14HRH4MEN1KMT2A
SCHEMBL22633556 0.84 HRH4 (0.51) GRM5HRH4DRD2DRD3RAD52
SCHEMBL22633507 0.83 GRIN1 (0.43) GRM5MAPK14HDAC6HRH4MEN1

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 3507/4885MAPK14 1907/4885HDAC6 632/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 GRM5 3346/4885MAPK14 1873/4885HDAC6 648/4885

“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.