SCHEMBL677811

SCHEMBL677811

Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.67
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
HDAC1 Q13547 1/20 0.60
MAPT P10636 1/20 0.60
AVPR2 P30518 1/20 0.58
GPR27 Q9NS67 1/20 0.58
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
APEX1 P27695 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
SCHEMBL28747395 0.90 LMNA (0.61) SNCANPC1RAB9AHDAC1MAPT
SCHEMBL6816710 0.87 LMNA (0.57) SNCANPC1RAB9AHDAC1MAPT
SCHEMBL7783288 0.85 HDAC1 (0.62) SNCANPC1RAB9AHDAC1MAPT
SCHEMBL1197032 0.84 HDAC1 (0.61) SNCANPC1RAB9AHDAC1MAPT
SCHEMBL17142908 0.84 JAK2 (0.61) SNCARAB9AHDAC1AVPR2LMNA
SCHEMBL17148222 0.84 F2R (0.54) SNCANPC1RAB9AHDAC1MAPT
SCHEMBL27964618 0.84 SNCA (0.67) SNCANPC1RAB9AHDAC1MAPT
SCHEMBL6544935 0.83 GPR27 (0.72) SNCANPC1RAB9AMAPTAVPR2
Hydrochloric Acid SCHEMBL17143068 0.83 F2R (0.53) SNCANPC1RAB9AHDAC1MAPT
SCHEMBL1197766 0.83 ALDH1A1 (0.57) SNCAHDAC1MAPTAVPR2GPR27

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US claimed
JP-2011526912-A 2011-10-20 JP claimed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP claimed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO claimed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO disclosed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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 (1 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB SNCA 4103/4885NPC1 1978/4885RAB9A 2275/4885

“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.