SCHEMBL22647679

SCHEMBL22647679

O=C(c1cc2ccccc2[nH]1)N1CCc2nc(NC3(CO)CC(F)(F)C3)sc2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
AKR1C3 P42330 5/20 0.41
GRM5 P41594 4/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL22396338 0.91 MAPK14 (0.44) MAPK14HRH4HRH3AKR1C3POLB
SCHEMBL22395911 0.90 AKR1C3 (0.42) MAPK14HRH4HRH3AKR1C3GRM5
SCHEMBL22396129 0.90 MAPK14 (0.43) MAPK14HRH4HRH3AKR1C3POLB
SCHEMBL22395926 0.88 HRH4 (0.44) MAPK14HRH4HRH3AKR1C3GRM5
SCHEMBL22396043 0.85 HDAC6 (0.42) MAPK14HRH4HRH3AKR1C3GRM5
SCHEMBL22633696 0.84 MAPK14 (0.43) MAPK14HRH4HRH3AKR1C3GRM5
SCHEMBL22396041 0.83 AKR1C3 (0.44) MAPK14HRH4HRH3AKR1C3POLB
SCHEMBL22396092 0.83 MAPK14 (0.39) MAPK14HRH4HRH3GRM5POLB
SCHEMBL22396101 0.83 MAPK14 (0.40) MAPK14HRH4HRH3AKR1C3POLB
SCHEMBL22395890 0.82 MAPK14 (0.42) MAPK14HRH4HRH3AKR1C3GRM5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 MAPK14 1907/4885HRH4 1649/4885HRH3 1278/4885

“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.