SCHEMBL874548

SCHEMBL874548

C=CCn1c(C)nc2[nH]c(=O)[nH]c(=O)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GDA Q9Y2T3 1/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
DPP4 P27487 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
NOD1 Q9Y239 2/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
USP2 O75604 2/20 0.34
BRDT Q58F21 1/20 0.33
TNF P01375 1/20 0.33
HPGD P15428 1/20 0.33
NOD2 Q9HC29 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
SCHEMBL835443 0.84 DPP4 (0.40) ALDH1A1KMT2AMEN1GDALMNA
SCHEMBL18440925 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1GDALMNA
SCHEMBL23255513 0.80 NOD1 (0.40) ALDH1A1KMT2AMEN1GDALMNA
SCHEMBL6112180 0.77 NOD1 (0.45) ALDH1A1KMT2AMEN1LMNANOD1
SCHEMBL9387974 0.77 GDA (0.38) ALDH1A1GDADPP4NOD1BRDT
SCHEMBL9386888 0.76 GDA (0.37) ALDH1A1GDADPP4NOD1BRDT
SCHEMBL7004955 0.72 GDA (0.49) ALDH1A1GDADPP4CYP3A4NOD1
SCHEMBL3503364 0.70 MEN1 (0.44) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL11078946 0.70 DPP4 (0.33) ALDH1A1GDADPP4NOD1POLB
SCHEMBL9318237 0.68 DPP4 (0.36) GDADPP4NOD1BRDT

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-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 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-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 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 ALDH1A1 514/4885KMT2A 2469/4885MEN1 2432/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ALDH1A1 600/4885KMT2A 2745/4885MEN1 2661/4885
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, HCAR1 ALDH1A1 840/4885KMT2A 2066/4885MEN1 2858/4885

“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.