SCHEMBL669089

SCHEMBL669089

Nc1ncc(Br)c(OCc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 4/20 0.52
CDK1 P06493 2/20 0.52
CCNB1 P14635 2/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CCNA1 P78396 2/20 0.52
CYP3A4 P08684 2/20 0.50
MPO P05164 1/20 0.50
TPO P07202 1/20 0.50
EPX P11678 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
PIN1 Q13526 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
SCHEMBL7752283 0.83 MGMT (0.55) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL2496116 0.82 PIN1 (0.47) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL12423709 0.81 PIN1 (0.59) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL18049874 0.81 NUDT1 (0.55) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL30683113 0.81 PIN1 (0.59) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL8407028 0.79 PDE5A (0.57) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL6358672 0.79 MGMT (0.66) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL27537440 0.78 TSHR (0.46) TSHRDHFRGRM4
SCHEMBL16852229 0.78 MGMT (0.64) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL21226762 0.76 MGMT (0.51) MGMTCDK1CCNB1CCNA2CDK2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
EP-2809321-B1 PHENYL-C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION FOR USE IN COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-11-09 EP disclosed
EP-2809321-B1 PHENYL-C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION FOR USE IN COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-11-09 EP disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
EP-2606045-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
EP-2606045-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
EP-2809321-A1 PHENYL -C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION COMBINATION THERAPY Boehringer Ingelheim International GmbH (DE) 2014-12-10 EP disclosed
US-8658661-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
WO-2013113799-A1 PHENYL -C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 WO disclosed
WO-2013113799-A1 PHENYL -C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 WO disclosed
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
EP-2606045-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
WO-2012024150-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012024150-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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 (2 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-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 MGMT 4667/4885CDK1 194/4885CCNB1 978/4885
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S MGMT 4365/4885CDK1 279/4885CCNB1 958/4885

“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.