SCHEMBL6327799

SCHEMBL6327799

CS(=O)(=O)N(CCN1CCOCC1)c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.48
CDK1 P06493 3/20 0.48
CCNB1 P14635 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CD274 Q9NZQ7 1/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38

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
SCHEMBL3838908 0.86 KMT2A (0.51) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1356127 0.84 AURKA (0.46) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL2375260 0.79 SIGMAR1 (0.46) CYP3A4CYP2C19CD274PKMALDH1A1
SCHEMBL14798400 0.77 AURKA (0.41) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL2157801 0.76 ALDH1A1 (0.51) CYP3A4CD274MEN1KMT2AALDH1A1
SCHEMBL14805245 0.76 HTR7 (0.41) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL15765522 0.76 MCL1 (0.43) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1015699 0.75 THRB (0.46) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL15754218 0.74 LMNA (0.43) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL2375987 0.73 HTR7 (0.42) CD274ALDH1A1SIGMAR1HRH3

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 AURKA 123/4885CDK1 1/4885CCNB1 42/4885

“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.