SCHEMBL874981

SCHEMBL874981

N/C(Cc1c[nH]c2ccccc12)=N\O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ MAPT P10636 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ AHR P35869 1/20 0.55
▸ GPR84 Q9NQS5 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HTR6 P50406 3/20 0.53
▸ HTR1D P28221 2/20 0.53
▸ HTR1B P28222 2/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR2C P28335 2/20 0.53
▸ HTR7 P34969 2/20 0.53
▸ MPO P05164 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
SCHEMBL837741 1.00 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14000650 0.81 PKM (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1854707 0.80 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13333434 0.80 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL29376364 0.79 MAPT (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3262116 0.79 MAPT (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL40822 0.79 MAPT (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2874856 0.79 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6873654 0.79 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10396081 0.78 GPR84 (0.59) MEN1KMT2AALDH1A1HPGDGPR84

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-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 — — 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

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 MEN1 2432/4885KMT2A 2469/4885MAPT 3948/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH MEN1 2894/4885KMT2A 2167/4885MAPT 4108/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 MEN1 2661/4885KMT2A 2745/4885MAPT 4059/4885

“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.

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