SCHEMBL1192342

SCHEMBL1192342

O=C(N[C@H]1CC[C@H](NC2CCOC2)CC1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ TSHR P16473 1/20 0.62
▸ EPHX1 P07099 1/20 0.55
▸ DPP4 P27487 7/20 0.51
▸ DPP7 Q9UHL4 7/20 0.51
▸ KCNH2 Q12809 4/20 0.51
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TLR4 O00206 1/20 0.47

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
SCHEMBL1192341 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL31255351 0.91 ALDH1A1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL22905145 0.91 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL21362723 0.91 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL472602 0.91 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL27603388 0.90 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL6888432 0.90 ALDH1A1 (0.70) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 — — EP disclosed
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 — — US disclosed
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-20130324530-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS NOVARTIS AG 2013-12-05 — — US disclosed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 — — EP disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 — — US disclosed
EP-2640702-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS Novartis AG (CH) 2013-09-25 — — EP disclosed
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 — — US disclosed
WO-2012101065-A2 PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101066-A1 PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 — — EP disclosed
WO-2012066070-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS NOVARTIS AG (CH) 2012-05-24 — — WO disclosed
US-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 — — US disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 — — 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-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 ALDH1A1 2639/4885GAA 1035/4885TSHR 2674/4885
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 ALDH1A1 2639/4885GAA 1035/4885TSHR 2674/4885
US-20130324530-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS CDK9, CDK19, CDK3 ALDH1A1 1949/4885GAA 1354/4885TSHR 3274/4885
US-20110028492-A1 Heteroaryl Compounds and Their Uses CDK9, CDK19, CDK3 ALDH1A1 2639/4885GAA 1035/4885TSHR 2674/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 ALDH1A1 2220/4885GAA 2215/4885TSHR 2098/4885

“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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