SCHEMBL2300212

SCHEMBL2300212

CS(=O)(=O)c1n[nH]c2ccc(C=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.41
▸ TTK P33981 1/20 0.39
▸ CYP2A6 P11509 2/20 0.37
▸ LRRK2 Q5S007 2/20 0.36
▸ JAK2 O60674 4/20 0.36
▸ ROCK1 Q13464 3/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ PRKD3 O94806 2/20 0.36
▸ LIMK1 P53667 2/20 0.36
▸ PLK4 O00444 2/20 0.36
▸ DAPK3 O43293 2/20 0.36
▸ DYRK3 O43781 2/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ MAP4K4 O95819 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ MARK3 P27448 2/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ CLK2 P49760 2/20 0.36

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
SCHEMBL2299132 0.80 KIF11 (0.44) KIF11TTKJAK2CLK4PRKD3
SCHEMBL8820458 0.78 JAK2 (0.54) LRRK2JAK2ROCK1CLK4JAK3
SCHEMBL181661 0.77 KIF11 (0.46) KIF11TTKCYP2A6JAK2MAPK1
SCHEMBL29955660 0.77 KIF11 (0.46) KIF11TTKCYP2A6JAK2MAPK1
SCHEMBL6526757 0.75 JAK2 (0.55) KIF11TTKCYP2A6JAK2ROCK1
SCHEMBL3534726 0.75 KIF11 (0.47) KIF11TTKCYP2A6LRRK2JAK2
SCHEMBL29953125 0.75 KIF11 (0.47) KIF11TTKCYP2A6LRRK2JAK2
SCHEMBL3532583 0.74 AKR1B1 (0.45) KIF11
SCHEMBL15650331 0.74 GSK3A (0.37) GSK3A
SCHEMBL1411783 0.73 KIF11 (0.46) KIF11TTKCYP2A6JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 — — US disclosed
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 — — US disclosed
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 — — US disclosed
EP-2294062-B1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-08-21 — — EP disclosed
EP-2294062-B1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-08-21 — — EP disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 — — US disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 — — US disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 — — US disclosed
WO-2009149837-A1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 — — 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-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF MET, ERBB4, RET KIF11 4593/4885TTK 1005/4885CYP2A6 3682/4885

“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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