SCHEMBL860986

SCHEMBL860986

CCOC(=O)C(c1nc(N2CCN(C)CC2)ccc1C(F)(F)F)c1nc(N2CCN(C)CC2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TACR1 P25103 2/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37

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 0.80 SMN1; SMN2 (0.45) SMN1; SMN2HPGDALDH1A1KDM4ECYP1A2
SCHEMBL28758653 0.78 CYP1A2 (0.41) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL28758652 0.74 CYP1A2 (0.41) SMN1; SMN2HPGDALDH1A1KDM4ECYP1A2
SCHEMBL856329 0.71 PTK2 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL19763754 0.68 RXFP1 (0.47) ALDH1A1KDM4EPARP1MEN1MAPT
SCHEMBL28534611 0.67 CYP1A2 (0.60) ALDH1A1KDM4ECYP1A2MEN1MAPT
SCHEMBL19012355 0.66 HRH4 (0.46) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL24190079 0.65 CYP1A2 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4441425 0.65 DCTPP1 (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL11529821 0.65 NPC1 (0.42) SMN1; SMN2HPGDKDM4EPARP1MAPT

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 7 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
US-20060058356-A1 Indolylmaleimide derivatives NOVARTIS AG 2006-03-16 US 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 SMN1; SMN2 2320/4885HPGD 1483/4885ALDH1A1 3792/4885

“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.