SCHEMBL3283083

SCHEMBL3283083

CC(=O)Nc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 1.00
ADORA1 P30542 1/20 1.00
GAA P10253 2/20 0.71
CYP1A2 P05177 2/20 0.71
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
PIK3CG P48736 1/20 0.67
MAPT P10636 1/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
ALDH1A1 P00352 1/20 0.64
CLK1 P49759 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
FSCN1 Q16658 1/20 0.63

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
SCHEMBL27634788 0.86 NPC1 (0.84) DYRK1AADORA1GAANPC1RAB9A
SCHEMBL32674581 0.86 NPC1 (0.84) DYRK1AADORA1GAANPC1RAB9A
SCHEMBL14942710 0.85 ADORA1 (0.73) DYRK1AADORA1GAACYP1A2NPC1
SCHEMBL12162704 0.85 ADORA1 (0.73) DYRK1AADORA1GAACYP1A2NPC1
SCHEMBL1580942 0.84 NPC1 (0.73) DYRK1AADORA1GAANPC1RAB9A
SCHEMBL5211562 0.84 ADORA1 (0.73) DYRK1AADORA1GAANPC1RAB9A
SCHEMBL3933070 0.84 DYRK1A (0.72) DYRK1AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL7090727 0.84 ADORA1 (0.72) DYRK1AADORA1GAACYP1A2NPC1
SCHEMBL133638 0.83 ADORA1 (0.71) DYRK1AADORA1GAACYP1A2NPC1
SCHEMBL8534896 0.83 ADORA1 (0.71) DYRK1AADORA1GAACYP1A2NPC1

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959200-A1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION Anadolu Universitesi (TR) 2022-03-02 EP claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
EP-0127133-B1 PROCESS FOR THE PREPARATION OF 2-ACETYLAMINO-6-NITRO-BENZOTHIAZOLE AND 2-AMINO-6-NITRO-BENZOTHIAZOLE HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-16 EP claimed
US-4698297-A INCLUDING A CHEMICALLY STABLE COMPOUND ABLE TO RELEASE A USEFUL CONTROLLABLE GROUP HAVING GOOD DIFFUSION; SHARPNESS FUJI PHOTO FILM CO., LTD. (JP) 1987-10-06 US claimed
US-4618571-A STORAGE-STABLE COUPLERS; CONTROLLED-RELEASABLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 1986-10-21 US claimed
US-4565777-A Silver halide color photographic light-sensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1986-01-21 US claimed
EP-0157146-A2 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-10-09 EP claimed
US-4526861-A Heterocyclic ring contains imide or sulfonamide group FUJI PHOTO FILM CO., LTD. (JP) 1985-07-02 US claimed
US-4511649-A Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-04-16 US claimed
EP-0127133-A2 Process for the preparation of 2-acetylamino-6-nitro-benzothiazole and 2-amino-6-nitro-benzothiazole HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-05 EP claimed
EP-0126433-A2 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1984-11-28 EP claimed
EP-0039835-A1 Process for the preparation of 2-amino-6-nitro-benzothiazole BAYER AG (DE) 1981-11-18 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E DYRK1A 1004/4885ADORA1 33/4885GAA 3550/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 DYRK1A 1124/4885ADORA1 23/4885GAA 3357/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E DYRK1A 1004/4885ADORA1 33/4885GAA 3550/4885

“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.