SCHEMBL2062613

SCHEMBL2062613

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.67
▸ NPC1 O15118 7/20 0.60
▸ RAB9A P51151 7/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ MAPT P10636 1/20 0.60
▸ PTPN1 P18031 3/20 0.59
▸ CACNA1B Q00975 1/20 0.58
▸ APBA1 Q02410 1/20 0.58
▸ SIRT1 Q96EB6 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ PGR P06401 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ PRMT1 Q99873 1/20 0.53

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
SCHEMBL17526122 0.95 NAMPT (0.73) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21661749 0.92 NAMPT (0.72) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23999957 0.91 NAMPT (0.68) NAMPTNPC1RAB9APTPN1CACNA1B
SCHEMBL22461360 0.89 NAMPT (0.65) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22461618 0.89 NAMPT (0.65) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23898931 0.89 NAMPT (0.61) NAMPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31396764 0.88 KMT2A (0.59) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11947174 0.87 ALDH1A1 (0.60) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8770870 0.87 NAMPT (0.67) NAMPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8773493 0.87 NAMPT (0.67) NAMPTNPC1RAB9ASMN1; SMN2MAPT

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-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 — — US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 — — US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 — — US disclosed
EP-1877383-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2011-09-07 — — EP disclosed
EP-1877383-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2011-09-07 — — EP disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 — — US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 — — US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 — — US disclosed
EP-1877383-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 — — EP disclosed
WO-2006117552-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS INHIBITORS OF KINASE ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO 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-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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-2000034268-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-2000034269-A1 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
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-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CDK1, AURKC, CSNK1G3 NAMPT 3189/4885NPC1 2449/4885RAB9A 3227/4885

“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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