SCHEMBL2999349

SCHEMBL2999349

C#CCNc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
KIF11 P52732 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 1/20 0.40
MCHR1 Q99705 1/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CTNNB1 P35222 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
SCHEMBL12510136 0.81 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1KIF11
SCHEMBL11381229 0.76 MCHR1 (0.47) ADORA3ADORA2AADORA2BADORA1KIF11
SCHEMBL3359576 0.75 KIF11 (0.47) ADORA3ADORA2AADORA2BADORA1KIF11
Hydrochloric Acid SCHEMBL20502848 0.74 KIF11 (0.46) ADORA3ADORA2AADORA2BADORA1KIF11
SCHEMBL2497478 0.72 KIF11 (0.51) ADORA3ADORA2AADORA2BADORA1KIF11
SCHEMBL3526481 0.71 KIF11 (0.44) ADORA3ADORA2AADORA2BADORA1KIF11
SCHEMBL2992571 0.71 KIF11 (0.44) ADORA3ADORA2AADORA2BADORA1KIF11
SCHEMBL12233658 0.71 KIF11 (0.44) ADORA3ADORA2AADORA2BADORA1KIF11
SCHEMBL12204229 0.71 JAK2 (0.49) ADORA3ADORA2AADORA2BADORA1KIF11
SCHEMBL12257143 0.70 KIF11 (0.40) ADORA3ADORA2AADORA2BADORA1KIF11

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 4 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 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-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-20 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 (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 ADORA3 1283/4885ADORA2A 1055/4885ADORA2B 1047/4885
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE OXA1L, CYP3A7, ABAT ADORA3 1283/4885ADORA2A 1055/4885ADORA2B 1047/4885

“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.