SCHEMBL586397

SCHEMBL586397

c1cnc(-c2ccnnn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
KDM4E B2RXH2 8/20 0.35
LMNA P02545 4/20 0.35
CCR1 P32246 3/20 0.35
CCR5 P51681 3/20 0.35
CCR8 P51685 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
METAP1 P53582 1/20 0.35
BLM P54132 1/20 0.35
DOHH Q9BU89 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
ALOX15 P16050 3/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL788798 0.82
SCHEMBL31413695 0.80 KDM4E (0.37) KDM4ETDP1
SCHEMBL379708 0.79 KDM4E (0.32) TP53KDM4ELMNANPC1RAB9A
SCHEMBL131503 0.77 KDM4E (0.64) TP53KDM4ELMNACCR1CCR5
Charcoal, Activated SCHEMBL30558882 0.76 KDM4E (0.31) TP53KDM4ELMNANPC1RAB9A
SCHEMBL16731967 0.73 ALDH1A1 (0.32) TP53KDM4ELMNACCR1CCR5
SCHEMBL3406541 0.73 TP53 (0.46) TP53KDM4ELMNACCR1CCR5
SCHEMBL812825 0.73 TDP2 (0.41) TP53KDM4ELMNACCR1CCR5
SCHEMBL32679295 0.72 CYP1A2 (0.47) KDM4ELMNACYP1A2NPC1RAB9A
SCHEMBL23883043 0.71 TP53 (0.34) TP53KDM4ELMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240349602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-10-17 US claimed
US-20240349602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-10-17 US disclosed
CN-116496493-B Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2024-09-06 CN disclosed
CN-117757067-A Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2024-03-26 CN disclosed
CN-117757066-A Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2024-03-26 CN disclosed
CN-111868140-B Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2023-12-26 CN disclosed
CN-116496493-A Polymer, composition for organic EL element, and method for producing same 三菱化学株式会社 2023-07-28 CN disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
CN-101405282-B Aurora kinase modulators and methods of use AMGEN INC 2015-03-25 CN disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
EP-1090000-A4 NAPHTHO 1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1089729-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2002-11-06 EP disclosed
WO-2001029045-A1 GRAM-POSITIVE SELECTIVE ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2001-04-26 WO disclosed
EP-1090000-A1 NAPHTHO 1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2001-04-11 EP disclosed
EP-1089729-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-1999066927-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-12-29 WO disclosed
WO-1999067242-A1 NAPHTHO[1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-12-29 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 (2 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-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 TP53 156/4885KDM4E 1519/4885LMNA 637/4885
US-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 TP53 456/4885KDM4E 397/4885LMNA 1829/4885

“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.