Sugi Predict

Sugi Predict / Compounds / SCHEMBL7537686

SCHEMBL7537686

SCHEMBL7537686

N#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.59
▸ CHEK1 O14757 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ PDGFRB P09619 1/20 0.58
▸ PDGFRA P16234 1/20 0.58
▸ FLT1 P17948 1/20 0.58
▸ GRK5 P34947 1/20 0.58
▸ KDR P35968 1/20 0.58
▸ MAP2K2 P36507 1/20 0.58
▸ CDK8 P49336 1/20 0.58
▸ GSK3A P49840 1/20 0.58
▸ GSK3B P49841 1/20 0.58
▸ PRKX P51817 1/20 0.58
▸ NEK2 P51955 1/20 0.58
▸ LIMK1 P53667 1/20 0.58
▸ MAP2K1 Q02750 1/20 0.58
▸ PRKCQ Q04759 1/20 0.58
▸ MAP4K2 Q12851 1/20 0.58
▸ DYRK1A Q13627 1/20 0.58
▸ IKBKE Q14164 1/20 0.58

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
SCHEMBL14306925 0.89 ERBB2 (0.53) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL12343920 0.89 ERBB2 (0.53) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL18748047 0.88 ADORA1 (0.61) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL8141742 0.86 CHEK1 (0.50) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL28823015 0.86 USP8 (0.58) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL11092132 0.86 ADORA1 (0.55) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL11084545 0.86 KDM4E (0.55) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL19439626 0.86 CHEK1 (0.59) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL11095182 0.86 CHEK1 (0.50) ERBB2CHEK1ABL1PDGFRBPDGFRA
SCHEMBL16291602 0.84 PGR (0.46) ERBB2CHEK1ABL1PDGFRBPDGFRA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234031-B D-A type aggregation-induced emission compound and preparation method and application thereof 暨南大学 2023-03-31 — — CN disclosed
CN-113234031-A D-A type aggregation-induced emission compound and preparation method and application thereof 暨南大学 2021-08-10 — — CN disclosed
US-10935552-B2 Aie luminogens for visualization and treatment of cancer THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-03-02 — — US disclosed
US-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-25 — — US disclosed
EP-3335265-B1 CYCLIC DINITRILE COMPOUNDS AS ADDITIVES FOR ELECTROLYTE BASF SE (DE) 2020-02-26 — — EP disclosed
EP-3335265-B1 CYCLIC DINITRILE COMPOUNDS AS ADDITIVES FOR ELECTROLYTE BASF SE (DE) 2020-02-26 — — EP disclosed
US-20190296395-A1 CYCLIC DINITRILE COMPOUNDS AS ADDITIVES FOR ELECTROLYTE BASF SE (DE) 2019-09-26 — — US disclosed
US-20190296395-A1 CYCLIC DINITRILE COMPOUNDS AS ADDITIVES FOR ELECTROLYTE BASF SE (DE) 2019-09-26 — — US disclosed
EP-3335265-A1 CYCLIC DINITRILE COMPOUNDS AS ADDITIVES FOR ELECTROLYTE BASF SE (DE) 2018-06-20 — — EP disclosed
US-20180156811-A1 AIE LUMINOGENS FOR VISUALIZATION AND TREATMENT OF CANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-06-07 — — US disclosed
WO-2002034844-A1 COMPOSITION CONTAINING AN AZAPHTHALOCYANINE AND USE AVECIA LIMITED (GB) 2002-05-02 — — WO disclosed
JP-2000038390-A TETRAPYRAZINOPORPHYRAZINE AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR USING THE SAME RICOH CO LTD 2000-02-08 — — JP disclosed
US-5864044-A Syntheses of trisulfonated phthalocyanines and their derivatatives using boron (111) subphthalocyanines as intermediates UNIVERSITE DE SHERBROOKE (CA) 1999-01-26 — — US disclosed
US-5346670-A Phthalocyanine and tetrabenztriazaporphyrin reagents BRITISH TECHNOLOGY GROUP U.S.A. INC. (US) 1994-09-13 — — US disclosed
EP-0434727-A4 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS ULTRA DIAGNOSTIC CORP (US) 1994-08-17 — — EP disclosed
US-5135717-A Imaging therapy BRITISH TECHNOLOGY GROUP USA INC. (US) 1992-08-04 — — US disclosed
EP-0434727-A1 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS BRITISH TECHNOLOGY GROUP (USA) INCORPORATED (US) 1991-07-03 — — EP disclosed
WO-1990002747-A1 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS ULTRA DIAGNOSTICS CORPORATION (US) 1990-03-22 — — 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 (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-20190296395-A1 CYCLIC DINITRILE COMPOUNDS AS ADDITIVES FOR ELECTROLYTE HCN2, HCN1, SCNN1B ERBB2 1983/4885CHEK1 1064/4885ABL1 504/4885
US-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging LGALS3, LGALS1, CD63 ERBB2 3295/4885CHEK1 2344/4885ABL1 3698/4885
US-10935552-B2 Aie luminogens for visualization and treatment of cancer LAMP1, LAMP2, BECN1 ERBB2 882/4885CHEK1 658/4885ABL1 3040/4885

“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.