Sugi Predict

Sugi Predict / Compounds / SCHEMBL802560

SCHEMBL802560

SCHEMBL802560

O=c1[nH]c(-c2ccccc2Br)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 10/20 0.68
▸ HPGD P15428 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ TNKS O95271 6/20 0.63
▸ TNKS2 Q9H2K2 6/20 0.63
▸ CYP1A1 P04798 1/20 0.63
▸ CYP1B1 Q16678 1/20 0.63
▸ PARP1 P09874 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ APOBEC3G Q9HC16 1/20 0.56
▸ PARP2 Q9UGN5 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL7012552 0.83 TUBB4A (0.52) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL6695759 0.82 TNKS2 (0.81) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL28135155 0.82 GUSB (0.69) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL29890314 0.81 GUSB (1.00) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL30259689 0.81 GUSB (1.00) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL4712040 0.81 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL30362075 0.81 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL296097 0.81 GUSB (1.00) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL2606253 0.81 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL29784109 0.81 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447581-A Method for synthesizing N-heterocyclic compound UNIV HUNAN 2015-03-25 — — CN 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-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US 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-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

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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A GUSB 4858/4885HPGD 3249/4885KDM4E 1621/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GUSB 4529/4885HPGD 4652/4885KDM4E 1040/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A GUSB 4858/4885HPGD 3249/4885KDM4E 1621/4885

“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.