SCHEMBL13547925

SCHEMBL13547925

C=C(C)c1cc2c(C#N)c(N)ccc2n1CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AS3MT Q9HBK9 6/20 0.35
KDM1A O60341 3/20 0.35
PFKFB2 O60825 4/20 0.32
PFKFB1 P16118 4/20 0.32
PFKFB3 Q16875 4/20 0.32
NSD2 O96028 2/20 0.32
DOT1L Q8TEK3 1/20 0.32
LMNA P02545 1/20 0.32
CFTR P13569 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
BCL6 P41182 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL13362071 0.80 MAPT (0.40) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL1466312 0.79 CFTR (0.47) GAAKDM4EMEN1KMT2AAS3MT
SCHEMBL19687578 0.69 KDM1A (0.39) GAAKDM4EMEN1KMT2AKDM1A
SCHEMBL13547941 0.62 PFKFB1 (0.39) AS3MTPFKFB2PFKFB1PFKFB3NSD2
SCHEMBL14231572 0.62 PGR (0.43) AS3MTPFKFB2PFKFB1PFKFB3
SCHEMBL5857121 0.60 AS3MT (0.56) GAAKDM4EMEN1KMT2AAS3MT
SCHEMBL15653075 0.59 KDM4E (0.47) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL2431507 0.58 AR (0.63) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL28058002 0.58 GAA (0.59) GAALMNAPOLBMAPTATM
SCHEMBL2414244 0.58 MMP2 (0.32) GAAKDM4EMEN1KMT2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US 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-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 GAA 1992/4885KDM4E 3861/4885MEN1 4672/4885

“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.