SCHEMBL794394

SCHEMBL794394

NC(=O)Cc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.69
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
RECQL P46063 1/20 0.61
MAPK8 P45983 1/20 0.52
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
CHRNA7 P36544 1/20 0.52
IDO1 P14902 1/20 0.51
FDPS P14324 3/20 0.50
TBXAS1 P24557 2/20 0.50
BTN3A1 O00481 1/20 0.50

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
SCHEMBL29701327 1.00 NAPRT (0.69) NAPRTCYP1A2CYP3A4CYP2C9RECQL
Hydrochloric Acid SCHEMBL2673018 0.98 NAPRT (0.67) NAPRTCYP1A2CYP3A4CYP2C9RECQL
Pyrrole SCHEMBL28319277 0.91 NAPRT (0.59) NAPRTCYP1A2CYP3A4CYP2C9RECQL
Tartaric Acid SCHEMBL29700138 0.88 KDM4E (0.69) NAPRTCYP1A2CYP3A4CYP2C9RECQL
Cadaverine Tartrate SCHEMBL28144426 0.88 KDM4E (0.69) NAPRTCYP1A2CYP3A4CYP2C9RECQL
SCHEMBL23932686 0.85 CYP1A2 (0.63) NAPRTCYP1A2CYP3A4CYP2C9RECQL
SCHEMBL3253168 0.83 NAPRT (0.74) NAPRTCYP1A2CYP3A4CYP2C9RECQL
SCHEMBL7417227 0.83 CYP1A2 (0.59) NAPRTCYP1A2CYP3A4CYP2C9RECQL
SCHEMBL9484991 0.82 NAPRT (0.53) NAPRTCYP1A2CYP3A4CYP2C9RECQL
SCHEMBL29864463 0.82 NAPRT (0.61) NAPRTCYP1A2CYP3A4CYP2C9RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US claimed
US-20240270748-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2024-08-15 US claimed
WO-2024154979-A2 NOVEL HETEROCYCLIC COMPOUNDS 주식회사 이노보테라퓨틱스 2024-07-25 WO claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
WO-2023088285-A1 SMALL MOLECULE INHIBITOR AGAINST NASOPHARYNGEAL CARCINOMA, PREPARATION METHOD FOR COMPOUND AND APPLICATION THEREOF 深圳湾实验室 2023-05-25 WO claimed
EP-3921317-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS Bayer Aktiengesellschaft (DE) 2021-12-15 EP claimed
WO-2020161257-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-13 WO claimed
EP-2729459-B1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2018-08-22 EP claimed
CN-106432233-B The preparation method of N, N, 6- trimethyl -2- (4- aminomethyl phenyls) imidazo [1,2-a] pyridine -3- acetamides 华东理工大学 2018-08-14 CN claimed
CN-107848974-A Aromatic sulfonamide derivatives 拜耳制药股份公司 2018-03-27 CN claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
US-6486193-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-26 US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO claimed
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases AVENTISUB INC. 2002-03-28 US claimed
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed
CN-1311796-A Peptide antiangiogenic agents ABBOTT LAB (US) 2001-09-05 CN claimed
US-5891891-A PARKINSON'S DISEASE, NERVOUD SYSTEM DISORDERS AND DEMENTIA CLARENDON-TRADING & INVESTIMENTOS LDA (PT) 1999-04-06 US claimed
CN-1183719-A Use of imidazo [1, 2-a] pyridine -3 -acetamide derivs. for therapeutic treatment of neuropsychiatric syndromes associated with disfunction of neural circuits of basal ganglia CLARENDON TRADE & INVESTMENT L (PT) 1998-06-03 CN claimed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
EP-0060144-A2 Cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-09-15 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 (4 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-20240270748-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 NAPRT 1911/4885CYP1A2 3600/4885CYP3A4 3835/4885
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 NAPRT 2567/4885CYP1A2 3088/4885CYP3A4 3625/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 NAPRT 1022/4885CYP1A2 2404/4885CYP3A4 4287/4885
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases MMP3, MMP1, MMP9 NAPRT 1743/4885CYP1A2 314/4885CYP3A4 737/4885

“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.