SCHEMBL6327744

SCHEMBL6327744

O=C1Nc2ccc(Br)cc2C1=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
TNIK Q9UKE5 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
FAAH O00519 2/20 0.45
ESRRG P62508 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PDE5A O76074 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CCNB2 O95067 1/20 0.41

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
SCHEMBL6325842 1.00 GAA (0.54) GAAHTTRAB9ATNIKMEN1
SCHEMBL4481621 0.93 GAA (0.54) GAAHTTRAB9ATNIKMEN1
SCHEMBL4485762 0.93 GAA (0.54) GAAHTTRAB9ATNIKMEN1
SCHEMBL30979383 0.93 GAA (0.54) GAAHTTRAB9ATNIKMEN1
SCHEMBL4497904 0.91 GAA (0.53) GAAHTTRAB9ATNIKMEN1
SCHEMBL4497909 0.91 GAA (0.53) GAAHTTRAB9ATNIKMEN1
SCHEMBL6321821 0.91 GAA (0.48) GAAHTTRAB9ATNIKMEN1
SCHEMBL6321824 0.91 GAA (0.48) GAAHTTRAB9ATNIKMEN1
SCHEMBL7083570 0.90 GAA (0.46) GAAHTTRAB9ATNIKMEN1
SCHEMBL7084742 0.90 GAA (0.46) GAAHTTRAB9ATNIKMEN1

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 2 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

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 GAA 3750/4885HTT 4696/4885RAB9A 2092/4885

“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.