SCHEMBL856329

SCHEMBL856329

CN1CCN(c2ccc(C(F)(F)F)c(CC(N)=O)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 10/20 0.47
PARP1 P09874 1/20 0.46
HRH4 Q9H3N8 4/20 0.44
HRH3 Q9Y5N1 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
THPO P40225 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39

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
SCHEMBL3238492 0.83 SMN1; SMN2 (0.45) PARP1HRH4HRH3KDM4EALDH1A1
SCHEMBL28758652 0.80 CYP1A2 (0.41) PTK2PARP1HRH4HRH3KDM4E
SCHEMBL989994 0.74 PTK2 (0.49) PTK2HRH4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL2990496 0.72 HTR3A (0.61) HRH4KDM4EALDH1A1HTR3A
SCHEMBL1989930 0.72 HTR3A (0.45) PARP1HRH4HRH3ALDH1A1CYP1A2
SCHEMBL860986 0.71 SMN1; SMN2 (0.45) PARP1HRH4HRH3KDM4EALDH1A1
SCHEMBL28758653 0.70 CYP1A2 (0.41) PARP1HRH4HRH3KDM4EALDH1A1
SCHEMBL19012355 0.69 HRH4 (0.46) PARP1HRH4HRH3KDM4EALDH1A1
SCHEMBL1433676 0.69 AOC3 (0.68) PTK2
Hydrochloric Acid SCHEMBL1432850 0.69 AOC3 (0.67) PTK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2075249-B1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US disclosed
EP-1597250-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-04-07 EP disclosed
EP-2075249-A2 Indolylmaleimide derivatives Novartis AG (CH) 2009-07-01 EP disclosed
CN-100439359-C Indolylmaleimide derivatives NOVARTIS AG (CH) 2008-12-03 CN disclosed
US-20060058356-A1 Indolylmaleimide derivatives NOVARTIS AG 2006-03-16 US disclosed
CN-1742005-A Indolylmaleimide derivatives NOVARTIS AG (CH) 2006-03-01 CN disclosed
EP-1597250-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072062-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2004-08-26 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-20060058356-A1 Indolylmaleimide derivatives GSK3B, GSK3A, GSKIP PTK2 686/4885PARP1 1575/4885HRH4 2206/4885

“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.