Sugi Predict

Sugi Predict / Compounds / SCHEMBL801880

SCHEMBL801880

SCHEMBL801880

O=c1[nH]c(-c2ccc(Cl)cc2Cl)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 10/20 1.00
▸ TNKS O95271 3/20 0.65
▸ TNKS2 Q9H2K2 3/20 0.65
▸ PARP2 Q9UGN5 1/20 0.65
▸ CYP1A1 P04798 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP1B1 Q16678 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ PARP1 P09874 2/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51

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
SCHEMBL18258699 0.87 GUSB (0.78) GUSBTNKSTNKS2PARP2CYP1A1
SCHEMBL22720083 0.86 GUSB (0.76) GUSBTNKSTNKS2PARP2CYP1A1
SCHEMBL8623127 0.85 GUSB (1.00) GUSBTNKSTNKS2PARP2KDM4E
SCHEMBL31710757 0.83 GUSB (0.76) GUSBTNKSTNKS2PARP2CYP1A1
SCHEMBL18258694 0.83 GUSB (0.76) GUSBTNKSTNKS2PARP2CYP1A1
SCHEMBL11226897 0.82 GUSB (0.70) GUSBTNKSTNKS2PARP2CYP1A1
SCHEMBL786614 0.82 GUSB (0.69) GUSBTNKSTNKS2PARP2KDM4E
SCHEMBL28357525 0.79 GUSB (0.73) GUSBTNKSTNKS2PARP2CYP1A1
SCHEMBL3336694 0.79 NPC1 (0.71) GUSBKDM4EHPGDNPC1RAB9A
SCHEMBL30046965 0.79 NPC1 (0.71) GUSBKDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058822-A1 Method to alter or control the development and/or life cycle of various plant species AMERICAN CYANAMID COMPANY (US) 1982-09-01 — — EP claimed
US-20140256754-A1 QUINAZOLINES AS B-GLUCURONIDASE NOVEL INHIBITORS CHOUDHARY MUHAMMAD IQBAL (PK) 2014-09-11 — — US disclosed
US-20140256754-A1 QUINAZOLINES AS B-GLUCURONIDASE NOVEL INHIBITORS CHOUDHARY MUHAMMAD IQBAL (PK) 2014-09-11 — — US disclosed
US-20140256754-A1 QUINAZOLINES AS B-GLUCURONIDASE NOVEL INHIBITORS CHOUDHARY MUHAMMAD IQBAL (PK) 2014-09-11 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
EP-1318814-B1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-05-30 — — EP disclosed
US-4431440-A 2-/4-METHYLPHENYL/-4-3H-QUINAZOLINES AS HERBICIDES AND PLANT GROWTH REGULATORS; CEREALS AMERICAN CYANAMID COMPANY (US) 1984-02-14 — — US disclosed
EP-0058822-A1 Method to alter or control the development and/or life cycle of various plant species AMERICAN CYANAMID COMPANY (US) 1982-09-01 — — EP 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GUSB 4529/4885TNKS 471/4885TNKS2 618/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A GUSB 4858/4885TNKS 514/4885TNKS2 336/4885
US-20140256754-A1 QUINAZOLINES AS B-GLUCURONIDASE NOVEL INHIBITORS GUSB, GBA3, GAA GUSB 1/4885TNKS 1726/4885TNKS2 1674/4885

“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.