SCHEMBL834329

SCHEMBL834329

N/N=C(\N)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
PKM P14618 4/20 0.53
MITF O75030 2/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
LMNA P02545 3/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NOS3 P29474 2/20 0.49
NOS1 P29475 2/20 0.49
NOS2 P35228 2/20 0.49
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL1428592 1.00 KDM4E (0.54) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL12560610 1.00 KDM4E (0.54) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL6160911 0.85 KDM4E (0.43) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL6160913 0.85 KDM4E (0.43) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL18653617 0.84 NPC1 (0.54) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL283337 0.83 KDM4E (0.59) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL283338 0.83 KDM4E (0.59) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL640709 0.83 KDM4E (0.59) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL24170743 0.81 PKM (0.51) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL2931559 0.81 LMNA (0.54) KDM4EALDH1A1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328232-A1 ELECTROCHEMICAL BIOSENSOR, OR SENSING MEMBRANE FOR ELECTROCHEMICAL BIOSENSOR CONTAINING TRANSITION METAL COMPLEX OR OXIDATION-REDUCTION POLYMER I-SENS, INC. (KR) 2024-02-28 EP disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11498936-B2 Preparation of metal-pyridine derivative complexes for use in medical imaging UNIVERSITY OF NORTHUMBRIA AT NEWCASTLE (GB) 2022-11-15 US disclosed
US-11498936-B2 Preparation of metal-pyridine derivative complexes for use in medical imaging UNIVERSITY OF NORTHUMBRIA AT NEWCASTLE (GB) 2022-11-15 US disclosed
EP-3724203-B1 PREPARATION OF METAL-PYRIDINE DERIVATIVE COMPLEXES FOR USE IN MEDICAL IMAGING UNIV OF NORTHUMBRIA AT NEWCASTLE (GB) 2021-11-24 EP disclosed
EP-3724203-B1 PREPARATION OF METAL-PYRIDINE DERIVATIVE COMPLEXES FOR USE IN MEDICAL IMAGING UNIV OF NORTHUMBRIA AT NEWCASTLE (GB) 2021-11-24 EP disclosed
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2021-08-19 US disclosed
US-10961261-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-20200369698-A1 Preparation of Metal-Pyridine Derivative Complexes for Use in Medical Imaging UNIVERSITY OF NORTHUMBRIA AT NEWCASTLE (GB) 2020-11-26 US disclosed
US-7105548-B2 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2006-09-12 US disclosed
EP-1458708-A4 HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-11-16 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
US-20050020585-A1 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-01-27 US disclosed
EP-1458708-A2 HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
WO-2003051315-A2 HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 WO disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 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 (7 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-11691992-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT KDM4E 3901/4885ALDH1A1 486/4885KMT2A 4439/4885
US-11498936-B2 Preparation of metal-pyridine derivative complexes for use in medical imaging MEN1, PDCD1, PDCD1LG2 KDM4E 3041/4885ALDH1A1 1291/4885KMT2A 4100/4885
US-20050020585-A1 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN3A KDM4E 2329/4885ALDH1A1 2269/4885KMT2A 1013/4885
US-20200369698-A1 Preparation of Metal-Pyridine Derivative Complexes for Use in Medical Imaging MEN1, PDCD1, PDCD1LG2 KDM4E 3041/4885ALDH1A1 1291/4885KMT2A 4100/4885
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF OXA1L, AOX1, EPX KDM4E 3884/4885ALDH1A1 626/4885KMT2A 4486/4885
US-10961261-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT KDM4E 3901/4885ALDH1A1 486/4885KMT2A 4439/4885
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 KDM4E 2699/4885ALDH1A1 1952/4885KMT2A 2580/4885

“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.