SCHEMBL22105776

SCHEMBL22105776

CCn1c(N)c(/N=C/c2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 2/20 0.53
▸ LIG1 P18858 1/20 0.51
▸ LIG3 P49916 1/20 0.51
▸ LIG4 P49917 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ TPI1 P60174 1/20 0.51
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ GAA P10253 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL1546582 0.77 MAPT (0.59) CDK1TPI1MAPTPOLBKDM4E
SCHEMBL7443811 0.71 G6PD (0.53) G6PDLIG1LIG3LIG4MAPT
SCHEMBL7443806 0.71 G6PD (0.53) G6PDLIG1LIG3LIG4MAPT
SCHEMBL1946617 0.71 HPGD (0.59) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL1944866 0.69 KMT2A (0.54) MAPTPOLBKDM4EGAAGLA
SCHEMBL4407466 0.69 G6PD (0.57) G6PDLIG1LIG3LIG4CDK1
SCHEMBL7436514 0.69 G6PD (0.57) G6PDLIG1LIG3LIG4CDK1
SCHEMBL22111515 0.68 KDM4E (0.78) MAPTPOLBKDM4EGAAGLA
SCHEMBL21946635 0.67 G6PD (0.68) G6PDLIG1LIG3LIG4CDK1
SCHEMBL1546553 0.66 MAPT (0.67) MAPTPOLBKDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 — — EP disclosed
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-09 — — US disclosed
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-14 — — US disclosed
WO-2020120450-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — WO disclosed
US-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — 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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 G6PD 1223/4885LIG1 4230/4885LIG3 4488/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 G6PD 2953/4885LIG1 4357/4885LIG3 4390/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 G6PD 1515/4885LIG1 4436/4885LIG3 4630/4885

“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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