SCHEMBL2702677

SCHEMBL2702677

Cc1cnc(Nc2ccc(F)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.56
▸ HDAC3 O15379 2/20 0.56
▸ HDAC1 Q13547 2/20 0.56
▸ HDAC2 Q92769 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CDK4 P11802 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CCND2 P30279 1/20 0.48
▸ CCND3 P30281 1/20 0.48
▸ STK17A Q9UEE5 1/20 0.48
▸ KCNH3 Q9ULD8 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL18590747 0.85 HDAC3 (0.61) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL22191032 0.80 AURKA (0.56) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL18294906 0.79 HDAC6 (0.53) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL27886228 0.78 AURKA (0.58) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL24308132 0.77 RAB9A (0.62) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL24867246 0.77 AURKA (0.53) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL27417170 0.77 MAPT (0.63) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL31460972 0.76 F9 (0.46) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL27637976 0.76 SYK (0.56) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL14463321 0.73 ACHE (0.68) NPC1RAB9AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 — — US disclosed
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 — — US disclosed
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 — — US disclosed
EP-2233483-B1 Indole or Benzimidazole derivatives as IkB-kinase modulators and intermediates in their preparation. SANOFI AVENTIS DEUTSCHLAND (DE) 2012-05-09 — — EP disclosed
EP-2233483-B1 Indole or Benzimidazole derivatives as IkB-kinase modulators and intermediates in their preparation. SANOFI AVENTIS DEUTSCHLAND (DE) 2012-05-09 — — EP disclosed
EP-1530568-B1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING I&kB KINASE SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 — — EP disclosed
EP-1530568-B1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING I&kB KINASE SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 — — EP disclosed
EP-2233483-A1 Indole or Benzimidazole derivatives as IkB-kinase modulators and intermediates in their preparation. Sanofi-Aventis Deutschland GmbH (DE) 2010-09-29 — — EP disclosed
EP-2233483-A1 Indole or Benzimidazole derivatives as IkB-kinase modulators and intermediates in their preparation. Sanofi-Aventis Deutschland GmbH (DE) 2010-09-29 — — EP disclosed
US-7285560-B2 Indole derivatives or benzimidazole derivatives for modulating IκB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-23 — — US disclosed
US-7285560-B2 Indole derivatives or benzimidazole derivatives for modulating IκB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-23 — — US disclosed
US-7285560-B2 Indole derivatives or benzimidazole derivatives for modulating IκB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-23 — — US disclosed
US-20070244139-A1 Indole Derivatives or Benzimidazole Derivatives for Modulating IkB Kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-18 — — US disclosed
US-20070244139-A1 Indole Derivatives or Benzimidazole Derivatives for Modulating IkB Kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-18 — — US disclosed
US-20070244139-A1 Indole Derivatives or Benzimidazole Derivatives for Modulating IkB Kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-18 — — US disclosed
CN-1314683-C Indole derivatives or benzimidazole derivatives for modulating IKB kinase AVENTIS PHARMA GMBH (DE) 2007-05-09 — — CN disclosed
CN-1675196-A Indole derivatives or benzimidazole derivatives for modulating IKB kinase AVENTIS PHARMA GMBH (DE) 2005-09-28 — — CN disclosed
US-20050197353-A1 Indole derivatives or benzimidazole derivatives for modulating IkB kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-08 — — 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 (2 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-20070244139-A1 Indole Derivatives or Benzimidazole Derivatives for Modulating IkB Kinase IKBKB, IKBKG, IKBKE AURKA 301/4885HDAC3 207/4885HDAC1 432/4885
US-20050197353-A1 Indole derivatives or benzimidazole derivatives for modulating IkB kinase IKBKB, IKBKG, IKBKE AURKA 301/4885HDAC3 207/4885HDAC1 432/4885

“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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