Sugi Predict

Sugi Predict / Compounds / SCHEMBL837843

SCHEMBL837843

SCHEMBL837843

N=C(Cc1c(F)cccc1F)NO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.39
▸ MAPK8 P45983 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GLS O94925 2/20 0.35
▸ DNMT3B Q9UBC3 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEP1B Q16820 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL837172 0.79 P2RX7 (0.31) —
SCHEMBL9282256 0.78 TAAR1 (0.42) MAPK8TAAR1RAB9ASMN1; SMN2KMT2A
SCHEMBL31459639 0.76 HDAC4 (0.35) RAB9ASMN1; SMN2NPC1POLB
SCHEMBL837827 0.75 AKR1B1 (0.50) BACE1GAATAAR1RAB9ASMN1; SMN2
SCHEMBL838275 0.71 TAAR1 (0.44) MAPK8TAAR1RAB9AKMT2ANPC1
SCHEMBL16224242 0.69 KDM4E (0.42) BACE1MAPK8GAAGLSDNMT3B
SCHEMBL6864858 0.69 CES2 (0.48) MAPK8GAAGLSDNMT3BSMN1; SMN2
SCHEMBL9473172 0.69 GAA (0.41) BACE1MAPK8GAAGLSDNMT3B
SCHEMBL835822 0.68 P2RX7 (0.38) BACE1TAAR1RAB9ASMN1; SMN2MAPT
SCHEMBL836580 0.68 MAPK8 (0.39) MAPK8SIGMAR1MEP1B

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 6 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-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-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 BACE1 704/4885MAPK8 1593/4885GAA 1103/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH BACE1 837/4885MAPK8 1568/4885GAA 1158/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 BACE1 747/4885MAPK8 1488/4885GAA 940/4885

“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.