SCHEMBL3146853

SCHEMBL3146853

CC(C)N1CCN(c2ccc(Oc3nc(Br)cnc3N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
DHFR P00374 2/20 0.42
F12 P00748 3/20 0.39
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
ALK Q9UM73 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HDAC4 P56524 1/20 0.36
TGFBR1 P36897 2/20 0.36
PTPN11 Q06124 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GAA P10253 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL3141934 0.81 SMN1; SMN2 (0.53) ALDH1A1MAPTALK
SCHEMBL1870852 0.73 ALDH1A1 (0.44) FYNALDH1A1DHFR
SCHEMBL15015523 0.73 MAPT (0.44) ALDH1A1KDM4EMAPTKCNH2
SCHEMBL1328836 0.70 MEN1 (0.46) ALDH1A1KDM4EMAPTKCNH2GAA
SCHEMBL1328805 0.70 ADORA2A (0.42) ALDH1A1
SCHEMBL23012480 0.69 KDM4C (0.40) ACVR1
SCHEMBL27157531 0.68 HRH3 (0.48) FYNALDH1A1KDM4EMAPTPKM
SCHEMBL1911489 0.68 MAPT (0.62) ALDH1A1KDM4EMAPTPKMTLR9
SCHEMBL2543118 0.68 KDM4E (0.67) FYNALDH1A1KDM4EMAPTPKM
SCHEMBL188924 0.68 MAPT (0.67) FYNALDH1A1KDM4EMAPTPKM

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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB FYN 544/4885ALDH1A1 4446/4885KDM4E 3910/4885

“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.