SCHEMBL678688

SCHEMBL678688

Nc1ccc(NC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.70
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
MEN1 O00255 5/20 0.70
PTGS1 P23219 2/20 0.67
KCNK3 O14649 2/20 0.65
KDM4E B2RXH2 1/20 0.64
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
TP53 P04637 3/20 0.62
MAPT P10636 1/20 0.62
TSHR P16473 1/20 0.62
PKM P14618 2/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
APEX1 P27695 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL30739642 0.88 KMT2A (0.86) KMT2ANPC1RAB9AMEN1KCNK3
SCHEMBL6082893 0.88 MEN1 (0.71) KMT2ANPC1RAB9AMEN1PTGS1
SCHEMBL1455966 0.86 KMT2A (0.72) KMT2ANPC1RAB9AMEN1PTGS1
SCHEMBL5375629 0.85 NPC1 (0.72) KMT2ANPC1RAB9AMEN1KCNK3
SCHEMBL8770869 0.85 KMT2A (0.72) KMT2ANPC1RAB9AMEN1KCNK3
SCHEMBL677476 0.85 MEN1 (0.67) KMT2ANPC1RAB9AMEN1PTGS1
SCHEMBL31171945 0.85 PTGS1 (0.72) KMT2AMEN1PTGS1KDM4ESMN1; SMN2
SCHEMBL30643220 0.85 MEN1 (0.88) KMT2ANPC1RAB9AMEN1KCNK3
SCHEMBL6027951 0.85 MEN1 (0.88) KMT2ANPC1RAB9AMEN1KCNK3
SCHEMBL309467 0.85 PTGS1 (0.72) KMT2AMEN1PTGS1KDM4ESMN1; SMN2

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 70 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-11078165-B2 Compounds for treating tuberculosis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-08-03 US disclosed
US-11078165-B2 Compounds for treating tuberculosis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-08-03 US disclosed
US-20200231550-A1 COMPOUNDS FOR TREATING TUBERCULOSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-23 US disclosed
US-20200231550-A1 COMPOUNDS FOR TREATING TUBERCULOSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-23 US disclosed
CN-110520412-A Compounds for the treatment of tuberculosis UNIV NANYANG TECH 2019-11-29 CN disclosed
WO-2018151681-A1 COMPOUNDS FOR TREATING TUBERCULOSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-08-23 WO disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN 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-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-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-2000034238-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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP 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 (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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB KMT2A 1060/4885NPC1 1978/4885RAB9A 2275/4885
US-11078165-B2 Compounds for treating tuberculosis ATP5ME, ATP5MG, ATP5F1D KMT2A 2920/4885NPC1 1580/4885RAB9A 2809/4885
US-20200231550-A1 COMPOUNDS FOR TREATING TUBERCULOSIS ATP5ME, ATP5MG, ATP5F1D KMT2A 2920/4885NPC1 1580/4885RAB9A 2809/4885

“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.