SCHEMBL678422

SCHEMBL678422

Nc1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.65
JAK1 P23458 2/20 0.65
TYK2 P29597 2/20 0.65
HTT P42858 1/20 0.65
NOD2 Q9HC29 1/20 0.65
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
APEX1 P27695 1/20 0.56
RAB9A P51151 5/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SNCA P37840 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
SCHEMBL11244486 0.87 RAB9A (0.55) JAK2JAK1TYK2HTTNOD2
SCHEMBL30739821 0.85 JAK2 (0.69) JAK2JAK1TYK2HTTNOD2
SCHEMBL30739749 0.83 JAK2 (0.71) JAK2JAK1TYK2HTTNOD2
SCHEMBL15092036 0.83 GAA (0.63) HTTMEN1KMT2ALMNATDP1
SCHEMBL7074375 0.83 JAK2 (0.61) JAK2JAK1TYK2HTTNOD2
SCHEMBL1197552 0.83 RAB9A (0.61) JAK2JAK1TYK2HTTNOD2
SCHEMBL7927691 0.82 JAK2 (0.65) JAK2JAK1TYK2HTTNOD2
SCHEMBL1057314 0.82 JAK2 (0.65) JAK2JAK1TYK2HTTNOD2
SCHEMBL8234734 0.82 JAK2 (0.65) JAK2JAK1TYK2HTTNOD2
SCHEMBL2726739 0.82 HTT (0.65) JAK2JAK1TYK2HTTNOD2

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-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-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP 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
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
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP 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-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP 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 (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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB JAK2 679/4885JAK1 297/4885TYK2 47/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 JAK2 116/4885JAK1 239/4885TYK2 381/4885

“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.