SCHEMBL522903

SCHEMBL522903

N=C(N)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.43
BLM P54132 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41

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
SCHEMBL29970881 1.00 CES2 (0.52) CES2CES1ALDH1A1ALOX15F2
Hydrochloric Acid SCHEMBL319729 0.98 CES2 (0.50) CES2CES1ALDH1A1ALOX15F2
Hydrochloric Acid SCHEMBL23497549 0.95 CES2 (0.48) CES2CES1ALDH1A1ALOX15F2
Acetic Acid SCHEMBL18342660 0.88 CES2 (0.52) CES2CES1ALDH1A1ALOX15PKM
SCHEMBL3555860 0.81 CES2 (0.56) CES2CES1ALDH1A1ALOX15F2
SCHEMBL10495281 0.81 F2 (0.55) ALDH1A1ALOX15F2F10F12
Hydrochloric Acid SCHEMBL3647753 0.79 CES2 (0.54) CES2CES1ALDH1A1ALOX15F2
Hydrochloric Acid SCHEMBL28555632 0.78 BLM (0.57) ALDH1A1F2F10F12F7
Hydrochloric Acid SCHEMBL29008442 0.78 BLM (0.57) ALDH1A1F2F10F12F7
Hydrochloric Acid SCHEMBL21553857 0.78 ALB (0.53) CES2CES1ALDH1A1ALOX15F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084110-A 3- amino benzo [d] isothiazole, derivative and its synthetic method 湘潭大学 2018-05-29 CN claimed
CN-105985264-A Novel preparation method of hexatamidine 江南大学 2016-10-05 CN claimed
CN-104693134-A S-triazine derivate monomer and preparing method for polyarylether fluorescent material UNIV SHANDONG AGRICULTURE 2015-06-10 CN claimed
WO-2025072330-A1 KIT INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2025-04-03 WO disclosed
US-12209092-B2 Inhibitors of GLI1 as therapeutic agents NEW YORK UNIVERSITY (US) 2025-01-28 US disclosed
EP-4396176-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2024-07-10 EP disclosed
US-20240150506-A1 CURING AGENTS FOR FLUOROELASTOMERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-05-09 US disclosed
CN-117529520-A Fluoroelastomer compositions containing curative 杜邦特种产品美国有限公司 2024-02-06 CN disclosed
EP-4305096-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS Dupont Specialty Products USA, LLC (US) 2024-01-17 EP disclosed
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-13 US disclosed
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-13 US disclosed
CN-1777583-A Methods for producing cyclic benzamidine derivatives EISAI CO LTD (JP) 2006-05-24 CN disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 US disclosed
CN-1630644-A Novel pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 CN disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 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 (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-12209092-B2 Inhibitors of GLI1 as therapeutic agents GLI1, GLI2, SHH CES2 2724/4885CES1 3088/4885ALDH1A1 1281/4885
US-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 CES2 2336/4885CES1 255/4885ALDH1A1 152/4885
US-20230219896-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS CNR1, CNR2, GPR18 CES2 472/4885CES1 853/4885ALDH1A1 3508/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK CES2 2113/4885CES1 652/4885ALDH1A1 330/4885

“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.