SCHEMBL2992571

SCHEMBL2992571

N#CNc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KIT P10721 1/20 0.37
BRAF P15056 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ULK1 O75385 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
PIK3CA P42336 2/20 0.35
MCHR1 Q99705 1/20 0.35
NOTUM Q6P988 1/20 0.35
PIK3CG P48736 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5139262 0.72 TDP2 (0.44) KIF11CTNNB1WNT3APIK3CANOTUM
SCHEMBL12233658 0.71 KIF11 (0.44) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL2999349 0.71 ADORA3 (0.46) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL12257143 0.67 KIF11 (0.40) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL10431415 0.66 GPR55 (0.46) KIF11CTNNB1WNT3APIK3CANOTUM
SCHEMBL8985134 0.66 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL2296526 0.66 ATR (0.36)
SCHEMBL10451126 0.65 CTNNB1 (0.41) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL13273130 0.65 CTNNB1 (0.41) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL19677991 0.65 CTNNB1 (0.45) KIF11ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470813-B2 Thiazoline and oxazoline derivatives and their methods of use ABBVIE INC. (US) 2013-06-25 US claimed
US-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-07-29 US claimed
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-20 US claimed
US-8470813-B2 Thiazoline and oxazoline derivatives and their methods of use ABBVIE INC. (US) 2013-06-25 US disclosed
US-8470813-B2 Thiazoline and oxazoline derivatives and their methods of use ABBVIE INC. (US) 2013-06-25 US disclosed
US-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
US-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
US-7683084-B2 Thiazoline and oxazoline derivatives and their methods of use ABBOTT LABORATORIES (US) 2010-03-23 US disclosed
US-7683084-B2 Thiazoline and oxazoline derivatives and their methods of use ABBOTT LABORATORIES (US) 2010-03-23 US disclosed
EP-2038278-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-03-25 EP disclosed
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-20 US disclosed
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-20 US disclosed
WO-2008002956-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 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-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use OXA1L, CYP3A7, ABAT KIF11 3291/4885ADORA3 1283/4885ADORA2A 1055/4885
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE OXA1L, CYP3A7, ABAT KIF11 3291/4885ADORA3 1283/4885ADORA2A 1055/4885

“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.