SCHEMBL6323628

SCHEMBL6323628

CN(C)CCS(=O)(=O)Nc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
KEAP1 Q14145 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
HTT P42858 2/20 0.41
CA9 Q16790 2/20 0.41
HPGD P15428 5/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.38
PLK4 O00444 1/20 0.37
DCLK1 O15075 1/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL15778549 0.79 THRA (0.58) THRACA1CA2HTTCA9
SCHEMBL6327481 0.78 CA2 (0.53) THRACA1CA2HTTCA9
SCHEMBL6396662 0.77 HPGD (0.64) KEAP1CA1CA2HTTCA9
SCHEMBL7752959 0.77 CA1 (0.49) KEAP1CA1CA2HTTCA9
SCHEMBL5611793 0.76 FFAR1 (0.50) THRACA1CA2HTTCA9
SCHEMBL1530832 0.76 HPGD (0.44) KEAP1CA1CA2HTTCA9
SCHEMBL5611786 0.75 CACNA1B (0.46) THRACA1CA2HTTCA9
SCHEMBL11648006 0.75 SGK1 (0.54) THRAHTTHPGDLMNASMN1; SMN2
SCHEMBL11647759 0.75 SGK1 (0.54) THRAHTTHPGDLMNASMN1; SMN2
SCHEMBL14500188 0.75 THRA (0.53) THRACA1CA2HTTCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
CN-1319090-A Novel substuted indolimones, their preparation process and use as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2001-10-24 CN disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 THRA 1481/4885KEAP1 2589/4885CA1 3035/4885

“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.