SCHEMBL6328162

SCHEMBL6328162

CNCCCN(C(C)=O)c1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IDO1 P14902 3/20 0.36
TDO2 P48775 1/20 0.36
KDR P35968 2/20 0.35
ALDH1A1 P00352 3/20 0.34
ADRB2 P07550 1/20 0.34
CFTR P13569 2/20 0.34
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
LMNA P02545 1/20 0.32
TGM2 P21980 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6325597 1.00 MEN1 (0.37) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6319358 0.91 IDO1 (0.39) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6321023 0.91 IDO1 (0.39) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6319632 0.90 MEN1 (0.38) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6322736 0.90 ADRA2C (0.41) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6322733 0.90 ADRA2C (0.41) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL6319638 0.90 MEN1 (0.38) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL4481431 0.90 LRRK2 (0.35) MEN1KMT2AIDO1TDO2KDR
SCHEMBL4481433 0.90 LRRK2 (0.35) MEN1KMT2AIDO1TDO2KDR
SCHEMBL480393 0.88 CASP1 (0.36) MEN1KMT2ANPC1RAB9AKDR

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 3 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

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 MEN1 3345/4885KMT2A 750/4885NPC1 4477/4885

“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.