SCHEMBL678770

SCHEMBL678770

Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.68
▸ TYK2 P29597 2/20 0.68
▸ JAK1 P23458 1/20 0.68
▸ GPR27 Q9NS67 4/20 0.65
▸ AVPR2 P30518 2/20 0.65
▸ MEN1 O00255 5/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ MAPT P10636 3/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ RAB9A P51151 4/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ GAA P10253 2/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ ATM Q13315 1/20 0.62
▸ APOBEC3A P31941 1/20 0.62
▸ APOBEC3G Q9HC16 1/20 0.62
▸ NR1H4 Q96RI1 1/20 0.57
▸ PYGL P06737 1/20 0.56

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
SCHEMBL10427108 0.90 JAK2 (0.77) JAK2TYK2JAK1GPR27AVPR2
SCHEMBL29771435 0.90 JAK2 (0.77) JAK2TYK2JAK1GPR27AVPR2
SCHEMBL11575341 0.87 ALDH1A1 (0.69) JAK2TYK2JAK1MEN1KMT2A
SCHEMBL15091807 0.86 JAK2 (0.62) JAK2TYK2JAK1GPR27AVPR2
SCHEMBL14228391 0.85 JAK2 (0.69) JAK2TYK2JAK1GPR27AVPR2
SCHEMBL17142908 0.84 JAK2 (0.61) JAK2TYK2JAK1AVPR2MEN1
SCHEMBL2681276 0.84 RAB9A (0.69) JAK2TYK2JAK1GPR27AVPR2
SCHEMBL2226570 0.84 JAK2 (0.68) JAK2TYK2JAK1GPR27AVPR2
SCHEMBL1753321 0.84 JAK2 (0.68) JAK2TYK2JAK1GPR27AVPR2
SCHEMBL2227567 0.83 MEN1 (0.76) JAK2TYK2JAK1GPR27AVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 — — US claimed
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
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 — — WO 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-20140213632-A1 HCV Combination Therapy STELLA APS (DK) 2014-07-31 — — US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
US-20140127159-A1 HCV Combination Therapy STELLA APS (DK) 2014-05-08 — — US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 — — US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 — — 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
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 — — WO disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 — — WO 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
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 — — WO disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 — — 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 (5 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 679/4885TYK2 47/4885JAK1 297/4885
US-20140127159-A1 HCV Combination Therapy HAVCR2, EIF2AK2, TIMP3 JAK2 105/4885TYK2 3805/4885JAK1 502/4885
US-20140213632-A1 HCV Combination Therapy HAVCR2, EIF2AK2, ZC3HAV1 JAK2 93/4885TYK2 3108/4885JAK1 473/4885
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 JAK2 1847/4885TYK2 3743/4885JAK1 2719/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 JAK2 116/4885TYK2 381/4885JAK1 239/4885

“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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