SCHEMBL676457

SCHEMBL676457

[CH2]c1ccc(-n2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
ENPP2 Q13822 1/20 0.64
MKNK1 Q9BUB5 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
NOTUM Q6P988 1/20 0.64
CYP3A4 P08684 4/20 0.63
MEN1 O00255 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
BAZ2B Q9UIF8 1/20 0.55
CYP51A1 Q16850 1/20 0.53
CYP2A6 P11509 1/20 0.52
CYP19A1 P11511 3/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ADH5 P11766 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL2532397 0.89 LMNA (0.78) LMNAMAPTENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL28701756 0.86 LMNA (0.75) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2533488 0.82 TSHR (0.84) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL6878617 0.82 LMNA (0.58) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL3250899 0.79 CYP3A4 (0.71) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL8108194 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL872661 0.78 NOTUM (1.00) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL4295697 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL171705 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL159406 0.78 LMNA (1.00) LMNAMAPTENPP2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493863-B1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-02-25 EP claimed
CN-102686569-B Phenoxy substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA NV 2014-11-26 CN claimed
US-8895573-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-11-25 US claimed
US-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 US claimed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US claimed
CN-102686569-A Phenoxy substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA NV 2012-09-19 CN claimed
EP-2493863-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP claimed
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US claimed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO claimed
WO-2024147306-A1 AMIDE COMPOUND AND HARMFUL ARTHROPOD CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2024-07-11 WO disclosed
EP-2738170-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-08-30 EP disclosed
US-9487527-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-08 US disclosed
US-9156837-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1543472-A 6-o-carbamoyl ketolide antibacterials ����-������ҩƷ��˾ 2004-11-03 CN disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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 (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-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 LMNA 4550/4885MAPT 2087/4885ENPP2 1282/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 LMNA 4459/4885MAPT 3982/4885ENPP2 3776/4885
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 LMNA 4550/4885MAPT 2087/4885ENPP2 1282/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E LMNA 4263/4885MAPT 4095/4885ENPP2 3879/4885

“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.