Sugi Predict

Sugi Predict / Compounds / SCHEMBL801882

SCHEMBL801882

SCHEMBL801882

O=c1[nH]c(-c2ccccc2C(F)(F)F)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 8/20 0.62
▸ HPGD P15428 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ TNKS O95271 6/20 0.62
▸ TNKS2 Q9H2K2 6/20 0.62
▸ WNT3A P56704 1/20 0.62
▸ PKM P14618 1/20 0.59
▸ C1R P00736 1/20 0.58
▸ PDE10A Q9Y233 1/20 0.58
▸ PARP1 P09874 3/20 0.58
▸ PARP2 Q9UGN5 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ CYP1A1 P04798 1/20 0.51
▸ CYP1B1 Q16678 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
SCHEMBL802340 0.85 TNKS (0.66) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL785670 0.85 TNKS (0.59) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL786388 0.85 TNKS (0.59) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL786353 0.81 HCAR2 (0.60) TNKSTNKS2WNT3AC1RPDE10A
SCHEMBL4712040 0.80 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL6695759 0.79 TNKS2 (0.81) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL4117692 0.78 NPC1 (0.63) HPGDKDM4EPKMPARP1ALDH1A1
SCHEMBL28135155 0.78 GUSB (0.69) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL31679092 0.78 NPC1 (0.63) HPGDKDM4EPKMPARP1ALDH1A1
SCHEMBL296097 0.77 GUSB (1.00) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880761-B The method of one pot process 4 (3H)-Quinazol derivative is eliminated by cyclization TIANJIN UNIVERSITY (CN) 2015-07-29 — — CN disclosed
CN-103880761-A Method for synthesizing 4(3H)-quinazolinone derivative by using cyclization elimination one-pot method UNIV TIANJIN 2014-06-25 — — 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-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
EP-1318814-B1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-05-30 — — 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-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.