SCHEMBL3940988

SCHEMBL3940988

Cc1cnc(Nc2ccccc2Br)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LCK P06239 2/20 0.47
EGFR P00533 3/20 0.46
LRRK2 Q5S007 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HPGD P15428 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
IGF1R P08069 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERBB2 P04626 1/20 0.37
CXCR2 P25025 1/20 0.37
CYP1A2 P05177 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL3941768 0.89 MAPK10 (0.44) LRRK2IGF1RMEN1KMT2ASMN1; SMN2
SCHEMBL4414044 0.83 IGF1R (0.41) ALDH1A1MAPTABCG2IGF1RMEN1
SCHEMBL3949701 0.83 HTT (0.52) ALDH1A1MAPTEGFRLRRK2HPGD
SCHEMBL3945521 0.83 ALDH1A1 (0.51) ALDH1A1MAPTEGFRHPGDIGF1R
SCHEMBL3943997 0.82 MAPT (0.41) ALDH1A1MAPTLCKMEN1KMT2A
SCHEMBL3942497 0.81 IGF1R (0.50) ALDH1A1EGFRHPGDIGF1RSMN1; SMN2
SCHEMBL4414071 0.76 MAPT (0.43) ALDH1A1MAPTHPGDABCG2IGF1R
SCHEMBL3938822 0.74 FFAR4 (0.45) ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL22229531 0.73 CYP1A2 (0.57) ALDH1A1MAPTIGF1RMEN1KMT2A
SCHEMBL15426468 0.72 MAPT (0.37) ALDH1A1MAPTLRRK2CYP1A2

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2049535-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 ALDH1A1 308/4885MAPT 4329/4885LCK 3174/4885

“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.