SCHEMBL22396113

SCHEMBL22396113

Nc1nc2c(s1)CN(C(=O)c1[nH]c3ccccc3c1F)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.41
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
SCN4A P35499 1/20 0.38
SCN9A Q15858 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL22633709 0.80 HRH4 (0.53) GRM5SCN4ASCN9ADRD2DRD3
SCHEMBL22396151 0.79 HRH4 (0.46) GRM5TLR8TLR7DRD2DRD3
SCHEMBL160185 0.77 GRM5 (0.46) GRM5NPC1RAB9A
SCHEMBL22633567 0.77 GRM5 (0.43) GRM5SCN4ASCN9ADRD2DRD3
SCHEMBL22395940 0.77 DRD2 (0.43) GRM5SCN4ASCN9ADRD2DRD3
SCHEMBL22633519 0.76 HRH4 (0.53) GRM5SCN4ASCN9ADRD2DRD3
SCHEMBL22396036 0.76 POLB (0.48) GRM5SCN4ASCN9ADRD2DRD3
SCHEMBL22633611 0.76 HRH4 (0.41) GRM5TLR8TLR7SCN4ASCN9A
SCHEMBL22396147 0.76 DRD2 (0.38) GRM5SCN4ASCN9ADRD2DRD3
SCHEMBL22633525 0.75 HRH4 (0.57) GRM5TLR8TLR7DRD2DRD3

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 3507/4885CDK4 25/4885CCND1 78/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 GRM5 3346/4885CDK4 32/4885CCND1 88/4885

“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.