SCHEMBL82061

SCHEMBL82061

[c]1cnc2cncnc2n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL81729 0.83 EGFR (0.30) EGFRPIK3CG
SCHEMBL5336910 0.73 EGFR (0.32) EGFRPIK3CG
SCHEMBL3931703 0.68
SCHEMBL3930826 0.68
SCHEMBL29355369 0.67 EGFR (0.34) EGFRPIK3CG
SCHEMBL3292267 0.66 PIK3CG (0.47) EGFRPIK3CG
Potassium SCHEMBL29619940 0.65 EGFR (0.33) EGFRPIK3CG
Phosphine SCHEMBL3090397 0.65 CHRNB4 (0.33) EGFRPIK3CG
Hydrogen Sulfide SCHEMBL29184284 0.65 EGFR (0.33) EGFRPIK3CG
Hydrochloric Acid SCHEMBL27567069 0.65 EGFR (0.33) EGFRPIK3CG

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 1723 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 EP claimed
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US claimed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 US claimed
US-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 US claimed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 US claimed
EP-2190790-B1 INCREASE IN BIOCIDAL EFFECT OF HYDROGEN PEROXIDE IN WASTE WATERS BY TRANSITION METAL CATALYSTS KURITA WATER IND LTD (JP) 2017-06-21 EP claimed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 US claimed
EP-3154941-A1 SMALL MOLECULE LFA-1 INHIBITORS AlloCyte Pharmaceuticals AG (CH) 2017-04-19 EP claimed
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
WO-2001007048-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
WO-2001007044-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
WO-2001007052-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
EP-0966447-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-12-29 EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
WO-1998039303-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-09-11 WO claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed
EP-0167820-B1 PROCESS FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED BENZ(C,D)-INDOL-2-ONES (NAPHTHOLACTAMES) BAYER AG (DE) 1989-04-26 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-10077238-B2 Small molecule LFA-1 inhibitors ICAM1, VCAM1, ITGB1 EGFR 2481/4885PIK3CG 3186/4885
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 EGFR 2481/4885PIK3CG 3186/4885
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 EGFR 2481/4885PIK3CG 3186/4885

“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.