SCHEMBL492345

SCHEMBL492345

CCOC(=O)c1n[nH]c2cc(C#N)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.61
▸ POLB P06746 1/20 0.50
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ELANE P08246 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ITK Q08881 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL16517307 0.85 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31078683 0.85 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12090413 0.85 KDM4E (0.69) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL177200 0.81 KDM4E (0.68) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL13337410 0.81 KDM4E (0.68) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL20895120 0.80 KDM4E (0.66) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL10262737 0.80 KDM4E (0.66) KDM4EPOLB
SCHEMBL20248058 0.80 KDM4E (0.66) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL492203 0.80 KDM4E (0.66) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL492957 0.79 PIN1 (0.49) ITKTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 — — US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 — — US disclosed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 — — US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 — — US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 — — US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 — — US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 — — EP disclosed
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 — — EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 — — US disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 — — US disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 — — 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 (4 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 KDM4E 3529/4885POLB 4609/4885NPC1 418/4885
US-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 KDM4E 2887/4885POLB 2611/4885NPC1 95/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 KDM4E 2887/4885POLB 2611/4885NPC1 95/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 KDM4E 3529/4885POLB 4609/4885NPC1 418/4885

“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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