SCHEMBL837844

SCHEMBL837844

NC(Cc1c(F)cccc1F)=NO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK8 P45983 2/20 0.40
BACE1 P56817 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 2/20 0.38
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.36
KDM1A O60341 4/20 0.35
CA5A P35218 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL10263865 1.00 LMNA (0.41) LMNASMN1; SMN2MAPK8BACE1TAAR1
SCHEMBL6022786 0.87 TAAR1 (0.53) LMNASMN1; SMN2MAPK8BACE1TAAR1
SCHEMBL21729216 0.87 TAAR1 (0.53) LMNASMN1; SMN2MAPK8BACE1TAAR1
SCHEMBL31459659 0.87 LMNA (0.42) LMNASMN1; SMN2MAPK8BACE1TAAR1
SCHEMBL837173 0.79 LMNA (0.33) LMNASMN1; SMN2TAAR1MAPTKDM1A
SCHEMBL12246356 0.79 LMNA (0.33) LMNASMN1; SMN2TAAR1MAPTKDM1A
SCHEMBL103210 0.78 LMNA (0.56) LMNASMN1; SMN2MAPK8TAAR1MAPT
SCHEMBL103209 0.78 LMNA (0.56) LMNASMN1; SMN2MAPK8TAAR1MAPT
SCHEMBL837828 0.75 ADRA2A (0.55) LMNASMN1; SMN2BACE1TAAR1MAPT
SCHEMBL6390159 0.74 MAPK8 (0.49) MAPK8BACE1TAAR1MAPTEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 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 (3 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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 LMNA 1600/4885SMN1; SMN2 740/4885MAPK8 1593/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH LMNA 1864/4885SMN1; SMN2 782/4885MAPK8 1568/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 LMNA 1625/4885SMN1; SMN2 761/4885MAPK8 1488/4885

“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.