SCHEMBL4178530

SCHEMBL4178530

CCc1ccc(-n2cccn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
KMT2A Q03164 2/20 0.51
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49
KDM4E B2RXH2 4/20 0.46
CCNK O75909 4/20 0.45
CDK12 Q9NYV4 4/20 0.45
ALDH1A1 P00352 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NAMPT P43490 1/20 0.45
PARP1 P09874 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP1 O94782 2/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL13514043 0.87 LMNA (0.50) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL4183301 0.84 LMNA (0.48) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL951325 0.83 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL30046017 0.83 LMNA (0.56) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL14638384 0.83 LMNA (0.56) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL29691288 0.83 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL17159482 0.83 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL18338880 0.83 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL1599534 0.83 LMNA (0.56) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL10130636 0.83 LMNA (0.49) LMNAKMT2AGRNSORT1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
WO-2016161003-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHAMRACEUTICALS, INC. (US) 2016-10-06 WO disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US disclosed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US disclosed
EP-2734516-B1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INT (DE) 2015-06-17 EP disclosed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US disclosed
US-20080242865-A1 PROCESSES FOR THE PREPARATION OF HYDROXYLAMINES TANG DATONG 2008-10-02 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20080086007-A1 2-(Pyrazole-1-Yl)Pyridine Derivative SHIONOGI & CO., LTD. (JP) 2008-04-10 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
WO-2007044927-A2 6, 11-BRIDGED TRICYCLIC MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (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-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LMNA 4270/4885KMT2A 1162/4885GRN 3857/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 LMNA 2540/4885KMT2A 1128/4885GRN 2773/4885
US-20080086007-A1 2-(Pyrazole-1-Yl)Pyridine Derivative MRPL21, CYP1A2, PDXK LMNA 2987/4885KMT2A 3012/4885GRN 4258/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 LMNA 3616/4885KMT2A 3679/4885GRN 2969/4885
US-20080242865-A1 PROCESSES FOR THE PREPARATION OF HYDROXYLAMINES CYP2B6, CYP2D6, CYP3A5 LMNA 1379/4885KMT2A 2377/4885GRN 1506/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 LMNA 3009/4885KMT2A 3455/4885GRN 2397/4885
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LMNA 750/4885KMT2A 1323/4885GRN 4475/4885

“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.