Sugi Predict

Sugi Predict / Compounds / SCHEMBL786560

SCHEMBL786560

SCHEMBL786560

O=c1[nH]c(-c2ccc(Cl)c(Cl)c2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 11/20 0.71
▸ TNKS2 Q9H2K2 11/20 0.71
▸ GUSB P08236 8/20 0.71
▸ PARP2 Q9UGN5 2/20 0.71
▸ PARP1 P09874 6/20 0.67
▸ CYP1A1 P04798 2/20 0.62
▸ CYP1B1 Q16678 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ APOBEC3G Q9HC16 1/20 0.60
▸ CYP1A2 P05177 1/20 0.59
▸ WNT3A P56704 1/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58

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
SCHEMBL6885282 0.84 TNKS (0.93) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL8618931 0.83 TNKS (1.00) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL8620410 0.83 TNKS (0.83) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL11821683 0.82 TNKS (0.71) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL4505299 0.82 TNKS (0.71) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL29784025 0.82 TNKS (0.71) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL6124189 0.81 TNKS (0.93) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL29592833 0.81 TNKS (1.00) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL258433 0.81 TNKS (1.00) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL16768506 0.80 TNKS (0.78) TNKSTNKS2GUSBPARP2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
EP-1317448-B2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-05-04 — — EP disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — 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-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-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — US disclosed
WO-2002022607-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022605-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022603-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022604-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022601-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — 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 (8 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A TNKS 346/4885TNKS2 347/4885GUSB 4698/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A TNKS 514/4885TNKS2 336/4885GUSB 4858/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 TNKS 863/4885TNKS2 1031/4885GUSB 4742/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 TNKS 471/4885TNKS2 618/4885GUSB 4529/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B TNKS 337/4885TNKS2 364/4885GUSB 4697/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A TNKS 514/4885TNKS2 336/4885GUSB 4858/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B TNKS 484/4885TNKS2 353/4885GUSB 4872/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP TNKS 555/4885TNKS2 513/4885GUSB 4835/4885

“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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