SCHEMBL4813775

SCHEMBL4813775

Cn1c(=O)c(N)c(N)n(CC2CCCO2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ KMT2A Q03164 2/20 0.43
▸ PARG Q86W56 2/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL3256669 0.73 MPO (0.59) ALDH1A1TSHRKDM4EKMT2APOLB
SCHEMBL1962177 0.73 MPO (0.59) ALDH1A1TSHRKDM4EKMT2APOLB
SCHEMBL28429328 0.69 TSHR (0.46) ALDH1A1TSHRKDM4EPOLBLMNA
SCHEMBL18256608 0.69 TRPA1 (0.59) ALDH1A1TSHRPOLBLMNAADORA3
SCHEMBL7321782 0.68 ADORA2A (0.46) ALDH1A1POLBLMNAMAPTCYP1A2
SCHEMBL4811164 0.66 ALDH1A1 (0.60) ALDH1A1TSHRKMT2ALMNACYP1A2
SCHEMBL1546690 0.66 ALDH1A1 (0.54) ALDH1A1KMT2APARGPOLBLMNA
SCHEMBL9734733 0.65 CYP1A2 (0.61) ALDH1A1TSHRKDM4EKMT2APOLB
SCHEMBL4254776 0.65 CCR6 (0.49) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL23620364 0.64 GRIN1 (0.47) ALDH1A1TSHRKDM4EKMT2ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361661-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2008-04-22 — — US disclosed
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP 2006-08-03 — — US disclosed
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2006-05-18 — — US disclosed
US-7019136-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2006-03-28 — — US disclosed
US-6919337-B2 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2005-07-19 — — US disclosed
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP (GB) 2005-03-10 — — US disclosed
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2004-02-26 — — US disclosed
EP-1268480-B1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2003-11-05 — — EP disclosed
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors BHALAY GURDIP (GB) 2003-09-11 — — US disclosed
US-20030114469-A1 Combinations COHEN DAVID SAUL (US) 2003-06-19 — — US disclosed
EP-1268480-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS Novartis AG (CH) 2003-01-02 — — EP disclosed
WO-2001077110-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2001-10-18 — — WO 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 (6 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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR ALDH1A1 719/4885TSHR 2592/4885KDM4E 3082/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A ALDH1A1 1219/4885TSHR 1663/4885KDM4E 1775/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A ALDH1A1 1076/4885TSHR 1896/4885KDM4E 1616/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A ALDH1A1 585/4885TSHR 2269/4885KDM4E 2392/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A ALDH1A1 1076/4885TSHR 1896/4885KDM4E 1616/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A ALDH1A1 1222/4885TSHR 2491/4885KDM4E 1922/4885

“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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