SCHEMBL6325880

SCHEMBL6325880

CCOC(=O)CCNCc1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
PPID Q08752 2/20 0.42
PPIB P23284 1/20 0.42
PPIA P62937 1/20 0.42
PPIG Q13427 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TNF P01375 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TOP2A P11388 1/20 0.40

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
SCHEMBL8168973 0.92 LTA4H (0.50) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL6322759 0.86 PPID (0.50) LTA4HPPIDPPIBPPIAPPIG
SCHEMBL9830685 0.86 LTA4H (0.49) LTA4HPPIDKDM4EALDH1A1MEN1
SCHEMBL16839753 0.84 CHRM2 (0.54) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL16794151 0.84 CYP1A2 (0.55) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL5939725 0.84 SCN8A (0.52) LTA4HMEN1KMT2A
SCHEMBL29676705 0.84 CYP1A2 (0.55) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL22046135 0.83 PPID (0.59) LTA4HPPIDPPIBPPIAPPIG
SCHEMBL549268 0.83 LTA4H (0.60) LTA4HPPIDALDH1A1MEN1KMT2A
SCHEMBL9830258 0.83 MEN1 (0.61) KDM4EALDH1A1MEN1KMT2ATHRB

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 4 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-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 LTA4H 4171/4885PPID 3161/4885PPIB 3253/4885

“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.