SCHEMBL8188239

SCHEMBL8188239

Cc1nsc(N)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PIM3 Q86V86 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KDR P35968 2/20 0.36
PDGFRB P09619 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL3863859 0.83 KDR (0.45) KDM4EKMT2APIM3CLK4KDR
SCHEMBL12894820 0.81 KDR (0.35) CSNK2A1PIM3CLK4KDRPDGFRB
SCHEMBL8306201 0.79 L3MBTL1 (0.42) KDM4EKMT2AL3MBTL1CSNK2A1PIM3
SCHEMBL4754954 0.76 TDP1 (0.41) L3MBTL1KDRPDGFRBTDP1ALDH1A1
SCHEMBL1527674 0.75 ALDH1A1 (0.59) KDM4EKMT2AALDH1A1MAPTLMNA
SCHEMBL9956341 0.74 L3MBTL1 (0.38) KDM4EKMT2AL3MBTL1CSNK2A1PIM3
SCHEMBL8307577 0.74 ALDH1A1 (0.39) KDM4EKMT2AL3MBTL1CSNK2A1PIM3
SCHEMBL29790182 0.74 L3MBTL1 (0.38) KDM4EKMT2AL3MBTL1CSNK2A1PIM3
SCHEMBL16973244 0.73 CA12 (0.52) KDM4EKMT2AKDRPDGFRBTDP1
SCHEMBL14710261 0.71 L3MBTL1 (0.36) KDM4EKMT2AL3MBTL1CSNK2A1PIM3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334899-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20170217946-A1 AMINO-SUBSTITUTED ISOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-03 US disclosed
US-9682995-B2 Amino-substituted isothiazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
EP-2951174-B1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma AG (DE) 2017-04-26 EP disclosed
CN-106414435-A Amino-substituted isothiazoles 拜耳制药股份公司 2017-02-15 CN disclosed
EP-3099682-A1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-12-07 EP disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed
WO-2015113927-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 WO disclosed
WO-2015113920-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 WO disclosed
WO-2014118186-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-07 WO disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-8703777-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2014-04-22 US disclosed
CN-102596969-A Condensed quinolines as protein kinase modulators CYLENE PHARMACEUTICALS INC 2012-07-18 CN disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 4288/4885KMT2A 3624/4885L3MBTL1 2527/4885
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 4288/4885KMT2A 3624/4885L3MBTL1 2527/4885
US-20170217946-A1 AMINO-SUBSTITUTED ISOXAZOLES SULT2A1, TBXA2R, F12 KDM4E 2564/4885KMT2A 2219/4885L3MBTL1 4299/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 3805/4885KMT2A 3668/4885L3MBTL1 2206/4885
US-20170334899-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BRCA1, TP53, SULT2A1 KDM4E 3109/4885KMT2A 1397/4885L3MBTL1 3399/4885

“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.