SCHEMBL4799638

SCHEMBL4799638

Nc1ccc(Oc2cnccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
KMT2A Q03164 3/20 0.54
LTA4H P09960 1/20 0.51
PTGS2 P35354 1/20 0.51
MEN1 O00255 2/20 0.50
APAF1 O14727 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
MAOA P21397 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TEAD4 Q15561 1/20 0.41
MAOB P27338 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL29580801 1.00 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2MEN1
SCHEMBL24270241 0.81 KDM4E (0.60) KDM4EKMT2AMEN1APAF1ALDH1A1
SCHEMBL4799634 0.81 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2MEN1
SCHEMBL171894 0.81 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2MEN1
SCHEMBL5317075 0.81 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2MEN1
SCHEMBL15955267 0.81 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2MEN1
SCHEMBL789285 0.81 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2MEN1
SCHEMBL29415425 0.81 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2MEN1
SCHEMBL2567209 0.80 KDM4E (0.57) KDM4EKMT2ALTA4HPTGS2ALDH1A1
SCHEMBL16000534 0.80 KDM4E (0.57) KDM4EKMT2ALTA4HPTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
WO-2023046133-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 成都施贝康生物医药科技有限公司 2023-03-30 WO disclosed
WO-2021256902-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF 한국과학기술연구원 2021-12-23 WO disclosed
WO-2021117834-A1 POLYURETHANE, POLISHING LAYER, POLISHING PAD, AND POLISHING METHOD 株式会社クラレ 2021-06-17 WO disclosed
CN-108947918-B Diamine monomer containing pyrazine structure and preparation method thereof, polyimide containing pyrazine structure and preparation method thereof 吉林大学 2021-01-15 CN disclosed
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US 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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 KDM4E 2383/4885KMT2A 929/4885LTA4H 2522/4885
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 KDM4E 1815/4885KMT2A 3339/4885LTA4H 3680/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 KDM4E 1754/4885KMT2A 3112/4885LTA4H 3708/4885

“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.