SCHEMBL879376

SCHEMBL879376

OCc1ccc2cn[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.53
MAPT P10636 3/20 0.53
DYRK1A Q13627 2/20 0.53
METAP2 P50579 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
FGFR1 P11362 8/20 0.51
FGFR2 P21802 3/20 0.51
FGFR3 P22607 1/20 0.51
INSR P06213 2/20 0.51
IGF1R P08069 2/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL29491224 1.00 NOS1 (0.53) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL31243384 0.85 NOS1 (0.50) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL1362997 0.85 MAPK1 (0.55) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL30440513 0.85 MAPK1 (0.55) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL8669605 0.84 NOS1 (0.57) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL7132606 0.81 NOS1 (0.58) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL20721589 0.81 MAPT (0.53) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL30896276 0.81 NOS1 (0.58) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL91332 0.81 MAPT (0.60) NOS1MAPTDYRK1AMETAP2KDM4E
SCHEMBL10130202 0.81 MAPT (0.58) NOS1MAPTDYRK1AMETAP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2025-04-15 US disclosed
EP-4488275-A1 COMPOUND CONTAINING FIVE-MEMBERED HETEROAROMATIC RING STRUCTURE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Yingli Pharmaceutical Co., Ltd (CN) 2025-01-08 EP disclosed
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-110506038-B Pesticidal compounds 巴斯夫欧洲公司 2023-11-24 CN disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
WO-2023165571-A1 COMPOUND CONTAINING FIVE-MEMBERED HETEROAROMATIC RING STRUCTURE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海璎黎药业有限公司 2023-09-07 WO disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
CN-116693519-A Compound containing five-membered heteroaromatic ring structure, pharmaceutical composition and application thereof 上海璎黎药业有限公司 2023-09-05 CN disclosed
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
WO-2009054983-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 WO disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
EP-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO 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 (5 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-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 NOS1 2450/4885MAPT 1695/4885DYRK1A 3747/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 NOS1 1989/4885MAPT 3828/4885DYRK1A 4212/4885
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 NOS1 1462/4885MAPT 3251/4885DYRK1A 2216/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 NOS1 1988/4885MAPT 3830/4885DYRK1A 4210/4885
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 NOS1 2450/4885MAPT 1695/4885DYRK1A 3747/4885

“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.