SCHEMBL1661510

SCHEMBL1661510

CCn1nc(Oc2ccc(C(F)(F)F)cc2)cc1-c1cccc(C(C)(C)N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.40
DYRK2 Q92630 5/20 0.40
CCNA2 P20248 4/20 0.40
CDK2 P24941 4/20 0.40
CDK5 Q00535 4/20 0.40
CDK5R1 Q15078 4/20 0.40
DYRK1B Q9Y463 4/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
DYRK3 O43781 2/20 0.40
MAPK1 P28482 1/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NPBWR1 P48145 1/20 0.36
POLB P06746 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL1660621 0.91 DYRK1A (0.36) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL14727667 0.90 LRRK2 (0.36) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL1661566 0.87 NMT1 (0.40) SCN9A
SCHEMBL1658657 0.86 SLC6A4 (0.40) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL1659949 0.84 SCN9A (0.42) GRIN1GRIN2BSCN9A
SCHEMBL14717156 0.83 SCN9A (0.37) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL1660820 0.83 SCN9A (0.37) SLC16A3SLC16A1MCTS1SCN9A
SCHEMBL14718522 0.82 SCN9A (0.37) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL1658711 0.81 SCN9A (0.34) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL6902712 0.81 SCN9A (0.36) MAPK1SLC16A3SLC16A1MCTS1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
EP-2488031-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-22 EP disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 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 (1 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP DYRK1A 1711/4885DYRK2 1847/4885CCNA2 3684/4885

“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.