SCHEMBL6327339

SCHEMBL6327339

Nc1ccc(C(N)c2ncccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
APAF1 O14727 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 5/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSP90AA1 P07900 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.35
AURKA O14965 1/20 0.35
DHFR P00374 1/20 0.35
NOS3 P29474 1/20 0.34

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
SCHEMBL3835096 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15807140 0.76 MAPK1 (0.33) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL15804477 0.76 KIF11 (0.39) MAPTTSHRALDH1A1NOS3NOS2
SCHEMBL2590179 0.75 MEN1 (0.53) MEN1KMT2AL3MBTL1MAPTTSHR
SCHEMBL1032680 0.72 DPP4 (0.50) MEN1KMT2AL3MBTL1MAPTTSHR
SCHEMBL589267 0.67 SLC6A3 (0.54) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL27728686 0.65 ADRB2 (0.52) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL12461779 0.65 MEN1 (0.53) MEN1KMT2AL3MBTL1MAPTTSHR
SCHEMBL16671626 0.65
SCHEMBL9663050 0.65 MEN1 (0.53) MEN1KMT2AL3MBTL1MAPTTSHR

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 MEN1 3345/4885KMT2A 750/4885APAF1 1478/4885

“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.