SCHEMBL22396255

SCHEMBL22396255

Nc1nc2c(s1)CN(C(=O)c1cc3c(Cl)c(F)ccc3[nH]1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HRH4 Q9H3N8 6/20 0.44
GRM5 P41594 1/20 0.39
ABCB1 P08183 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
F10 P00742 2/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL22396151 0.91 HRH4 (0.46) MEN1KMT2ARXFP1HRH4GRM5
SCHEMBL22633564 0.90 HRH4 (0.53) MEN1KMT2ARXFP1HRH4GRM5
SCHEMBL22633525 0.90 HRH4 (0.57) MEN1KMT2ARXFP1HRH4GRM5
SCHEMBL22396040 0.89 HRH4 (0.44) MEN1KMT2ARXFP1HRH4GRM5
SCHEMBL22396258 0.88 MEN1 (0.40) MEN1KMT2ARXFP1HRH4GRM5
SCHEMBL22633709 0.87 HRH4 (0.53) HRH4GRM5DRD2DRD3
SCHEMBL22633556 0.85 HRH4 (0.51) HRH4GRM5DRD2DRD3
SCHEMBL22396147 0.84 DRD2 (0.38) MEN1KMT2ARXFP1HRH4GRM5
SCHEMBL22396000 0.84 POLB (0.44) MEN1KMT2ARXFP1HRH4GRM5
SCHEMBL22633524 0.84 KMT2A (0.60) MEN1KMT2ARXFP1HRH4F10

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 MEN1 4630/4885KMT2A 924/4885RXFP1 3960/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 MEN1 4412/4885KMT2A 583/4885RXFP1 4119/4885

“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.