Sugi Predict

Sugi Predict / Compounds / SCHEMBL3661853

SCHEMBL3661853

SCHEMBL3661853

C=CCc1cccnc1NC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ SELE P16581 1/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ PPIA P62937 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ NR3C2 P08235 2/20 0.36

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
SCHEMBL8915581 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL16244495 0.78 KDM4E (0.50) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL6017411 0.78 GSK3B (0.38) HPGDTYK2NPC1RAB9ASMN1; SMN2
SCHEMBL23362167 0.76 KDM4E (0.44) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL28325881 0.76 KDM4E (0.44) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL7914371 0.76 KDM4E (0.44) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL2558369 0.72 NPC1 (0.41) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL514543 0.72 HTT (0.50) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL29908330 0.71 NTRK1 (0.51) PPIANR3C2NPC1RAB9A
SCHEMBL8579294 0.71 KDM4E (0.62) ALDH1A1KDM4EMAPTHSD17B10MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 — — US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 — — EP disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 — — US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 — — US disclosed
US-20070010516-A1 Novel piperidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-01-11 — — US disclosed
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 — — US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 — — EP disclosed
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-05-04 — — US disclosed
EP-1641776-A1 NOVEL PIPERIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-04-05 — — EP disclosed
EP-1631565-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-03-08 — — EP disclosed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 — — EP disclosed
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 — — US disclosed
WO-2004099180-A1 NOVEL PIPERIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 — — WO disclosed
WO-2004099179-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 — — WO disclosed
US-6815451-B2 1,2,3,4-Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-11-09 — — US disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 — — US disclosed
WO-2004026836-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-04-01 — — WO disclosed
EP-1379523-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-01-14 — — EP disclosed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 — — WO disclosed
WO-2002076979-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-10-03 — — 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-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives ADRA2C, ADRA1D, ADRB3 ALDH1A1 1364/4885KDM4E 2339/4885MAPT 1248/4885
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ADRA2C, UTS2R, ADRB2 ALDH1A1 2026/4885KDM4E 1924/4885MAPT 899/4885
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 ALDH1A1 2575/4885KDM4E 4223/4885MAPT 1412/4885
US-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 ALDH1A1 2078/4885KDM4E 1861/4885MAPT 1151/4885
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives P2RY4, P2RX4, REN ALDH1A1 1814/4885KDM4E 795/4885MAPT 263/4885
US-20070010516-A1 Novel piperidine derivatives UTS2R, VIPR2, NTSR2 ALDH1A1 1086/4885KDM4E 3405/4885MAPT 1274/4885

“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.