Sugi Predict

Sugi Predict / Compounds / SCHEMBL22633765

SCHEMBL22633765

SCHEMBL22633765

COc1nc2c(s1)CN(C(=O)c1cc3ccccc3[nH]1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HRH4 Q9H3N8 5/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.49
▸ DRD2 P14416 4/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ABCB1 P08183 2/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ DRD3 P35462 3/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ GRM5 P41594 1/20 0.46

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
SCHEMBL22633534 0.89 HRH4 (0.51) KMT2ARXFP1NPC1RAB9AHRH4
SCHEMBL22633634 0.85 HRH4 (0.48) HRH4HRH3DRD2MAPK14POLB
SCHEMBL29496399 0.85 HRH4 (0.53) KMT2ARXFP1NPC1RAB9AHRH4
SCHEMBL22396240 0.85 HRH4 (0.53) KMT2ARXFP1NPC1RAB9AHRH4
SCHEMBL22396152 0.85 HRH4 (0.53) KMT2ARXFP1NPC1RAB9AHRH4
SCHEMBL22396264 0.84 MAPK14 (0.56) KMT2ARXFP1HRH4HRH3MAPK14
SCHEMBL22396085 0.84 HRH4 (0.54) KMT2ARXFP1NPC1RAB9AHRH4
SCHEMBL22396045 0.82 HRH4 (0.50) KMT2ARXFP1HRH4HRH3MAPK14
SCHEMBL22396162 0.82 HRH4 (0.50) KMT2ARXFP1HRH4HRH3DRD2
SCHEMBL22396122 0.82 GRM5 (0.55) HRH4HRH3MAPK14POLBSMN1; SMN2

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 KMT2A 924/4885RXFP1 3960/4885NPC1 2921/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 KMT2A 583/4885RXFP1 4119/4885NPC1 2782/4885

“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.