SCHEMBL22633779

SCHEMBL22633779

O=C(c1cc2c(Cl)cccc2[nH]1)N1CCc2nc(NC3CCC(O)CC3)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.48
▸ MAPK14 Q16539 1/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GRM5 P41594 3/20 0.39
▸ PARK7 Q99497 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ F10 P00742 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FLT3 P36888 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
SCHEMBL22633781 1.00 HRH4 (0.48) HRH4MAPK14DRD2DRD3HDAC6
SCHEMBL22633745 0.93 HRH4 (0.48) HRH4MAPK14DRD2DRD3HDAC6
SCHEMBL22633746 0.93 HRH4 (0.48) HRH4MAPK14DRD2DRD3HDAC6
SCHEMBL22633623 0.89 GRM5 (0.37) HRH4DRD2DRD3GRM5GAA
SCHEMBL22633625 0.89 GRM5 (0.37) HRH4DRD2DRD3GRM5GAA
SCHEMBL22633603 0.88 GRM5 (0.35) HRH4MAPK14HDAC6GRM5PARK7
SCHEMBL22633605 0.88 GRM5 (0.35) HRH4MAPK14HDAC6GRM5PARK7
SCHEMBL22633639 0.87 HRH4 (0.45) HRH4MAPK14DRD2DRD3HDAC6
SCHEMBL22633749 0.87 HRH4 (0.45) HRH4MAPK14DRD2DRD3HDAC6
SCHEMBL22633686 0.85 HRH4 (0.48) HRH4MEN1KMT2ARXFP1F10

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 1649/4885MAPK14 1907/4885DRD2 4223/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 HRH4 1490/4885MAPK14 1873/4885DRD2 4367/4885

“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.

Send feedback