SCHEMBL254617

SCHEMBL254617

N#CCCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LOXL2 Q9Y4K0 2/20 0.50
HRH1 P35367 2/20 0.43
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL7719587 0.86 HRH1 (0.50) MEN1KMT2ALOXL2HRH1CYP1A2
SCHEMBL7418781 0.83 HRH1 (0.57) MEN1KMT2ALOXL2HRH1HSD17B10
SCHEMBL8764230 0.82 MEN1 (0.64) MEN1KMT2ALOXL2CYP1A2CYP3A4
Water SCHEMBL31124596 0.79 LOXL2 (0.65) LOXL2HRH1CYP1A2CYP3A4CYP2D6
Water SCHEMBL31124597 0.79 LOXL2 (0.65) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL28826605 0.78 KMT2A (0.46) MEN1KMT2ALOXL2
SCHEMBL347893 0.76 LOXL2 (0.50) KMT2ALOXL2HRH1CYP1A2CYP3A4
SCHEMBL6319772 0.76 LOXL2 (0.50) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL151822 0.76 LOXL2 (0.68) LOXL2HRH1CYP1A2CYP3A4CYP2D6
SCHEMBL8763175 0.75 MEN1 (0.56) MEN1KMT2ALOXL2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419963-B1 USE OF BISPYRIDINES TO IMPROVE LABELING OF NUCLEOPHILES AGILENT TECHNOLOGIES INC (US) 2022-08-10 EP claimed
US-20210333269-A1 Kits for Using Bispyridines to Improve Labeling of Nucleophiles AGILENT TECHNOLOGIES, INC. (US) 2021-10-28 US claimed
US-11092595-B2 Use of bispyridines to improve labeling of nucleophiles AGILENT TECHNOLOGIES, INC. (US) 2021-08-17 US claimed
EP-2629777-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-28 EP claimed
WO-2012054364-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-26 WO claimed
US-20240327392-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVES AS MEDICAMENTS FOR TREATING AND/OR PREVENTING RS VIRUS INFECTIONS ALBIUS SCIENCES ALPHA PRIVATE LIMITED (SG) 2024-10-03 US disclosed
EP-4361148-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVE AS MEDICAL DRUG FOR TREATMENT AND/OR PREVENTION OF RS VIRUS INFECTIOUS DISEASE Albius Sciences Alpha Private Limited (SG) 2024-05-01 EP disclosed
CN-117730079-A Heterocyclyl-substituted polyheterazoles derivatives as medicaments for the treatment and/or prophylaxis of RSV infections 亚博思生物科技(第一)有限公司 2024-03-19 CN disclosed
US-20220135547-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME NENAYDENOV VALENTIN G (RU) 2022-05-05 US disclosed
EP-2626352-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME Obschestvo S Ogranichennoy Otvetstvennostju "Biopharm-Memorien" (RU) 2013-08-14 EP disclosed
CN-101558040-B Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG 2013-03-27 CN disclosed
WO-2012033435-A1 METHOD, COMPOUND, PHARMACEUTICAL COMPOSITION AND DRUG FOR RESTORING MEMORY LOST IN NORMAL AND PATHOLOGICAL CONTEXTS ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "БИОФАРМ-МЕМОРЕЙН" (RU) 2012-03-15 WO disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
EP-0372470-A2 Novel alpha-cyano-beta-oxopropionamides CIBA-GEIGY AG (CH) 1990-06-13 EP disclosed
US-4605744-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1986-08-12 US disclosed
US-4537969-A AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS HOFFMANN-LA ROCHE INC. (US) 1985-08-27 US disclosed
EP-0148283-A1 Novel penicillanic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-17 EP disclosed
US-4431653-A ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE HOFFMANN-LA ROCHE INC. (US) 1984-02-14 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 (5 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-11092595-B2 Use of bispyridines to improve labeling of nucleophiles PTMS, BTD, DPYD MEN1 2643/4885KMT2A 1691/4885LOXL2 2305/4885
US-20240327392-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVES AS MEDICAMENTS FOR TREATING AND/OR PREVENTING RS VIRUS INFECTIONS RSU1, TSLP, HAVCR2 MEN1 1938/4885KMT2A 2365/4885LOXL2 1388/4885
US-20210333269-A1 Kits for Using Bispyridines to Improve Labeling of Nucleophiles DPYD, UNG, BTD MEN1 2506/4885KMT2A 1503/4885LOXL2 2603/4885
US-20220135547-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME APP, IAPP, BDNF MEN1 2764/4885KMT2A 4703/4885LOXL2 4279/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MEN1 203/4885KMT2A 3139/4885LOXL2 1214/4885

“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.