SCHEMBL1031479

SCHEMBL1031479

COc1ccc(Cn2nncc2CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.49
NPBWR1 P48145 4/20 0.45
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CMA1 P23946 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP19A1 P11511 1/20 0.41
HSD11B1 P28845 1/20 0.41
PDE8B O95263 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MAOB P27338 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PKM P14618 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL19631128 0.88 TAAR1 (0.51) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL13151306 0.86 TOP2A (0.47) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL4751007 0.85 TOP2A (0.46) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL18377688 0.80 ALDH1A1 (0.54) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL30946374 0.80 TOP2A (0.52) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL31285046 0.78 TOP2A (0.48) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL31284789 0.78 TOP2A (0.48) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL13151274 0.77 NPBWR1 (0.46) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL18367564 0.76 TOP2A (0.49) TOP2ANPBWR1ALOX15ALDH1A1KDM4E
SCHEMBL10150643 0.75 LMNA (0.47) NPBWR1ALOX15ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008062296-A2 NOP RECEPTOR AGONISTS FOR THE TREATMENT OF L-DOPA INDUCED DYSKINESIAS UNIVERSITA' DEGLI STUDI DI FERRARA (IT) 2008-05-29 WO claimed
EP-3442526-B1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP (US) 2023-01-04 EP disclosed
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 US disclosed
EP-3442526-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Melinta Subsidiary Corp. (US) 2019-02-20 EP disclosed
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP. 2017-11-23 US disclosed
WO-2017200979-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA THERAPEUTICS, INC. (US) 2017-11-23 WO disclosed
CN-107205989-A The method for the treatment of, prevention or reduction skin infection risk 梅琳塔治疗公司 2017-09-26 CN disclosed
EP-3217974-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION Melinta Therapeutics, Inc. (US) 2017-09-20 EP disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA SUBSIDIARY CORP. 2016-05-19 US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 US disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 US disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 US disclosed
EP-1904489-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES Rib-X Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
WO-2006133397-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB-X PHARMACEUTICALS, INC. (US) 2006-12-14 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 (4 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-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 TOP2A 394/4885NPBWR1 3120/4885ALOX15 426/4885
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CUTA, CYP19A1, KAT2A TOP2A 82/4885NPBWR1 2615/4885ALOX15 1153/4885
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION CUTA, CYP17A1, HSD17B11 TOP2A 535/4885NPBWR1 2321/4885ALOX15 173/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 TOP2A 535/4885NPBWR1 2321/4885ALOX15 173/4885

“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.