SCHEMBL3949566

SCHEMBL3949566

Cc1cnc(Nc2ccc(C#N)cc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.50
SYK P43405 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
IGF1R P08069 1/20 0.40
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
ABCC3 O15438 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 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
SCHEMBL13598875 0.82 SYK (0.49) DHODHSYKKDM4EABCG2EGFR
SCHEMBL17492679 0.80 AURKA (0.44) DHODHEGFRALDH1A1HPGDCYP1A2
SCHEMBL3947432 0.80 KDM4E (0.34) DHODHKDM4EALDH1A1IGF1R
SCHEMBL3942497 0.80 IGF1R (0.50) KDM4EEGFRKDRGSK3BALDH1A1
SCHEMBL14689924 0.79 MEN1 (0.48) DHODHSYKKDM4EABCG2EGFR
SCHEMBL4414071 0.78 MAPT (0.43) KDM4EABCG2KDRGSK3BALDH1A1
SCHEMBL3940864 0.78 MAPT (0.41) SYKALDH1A1CYP1A2ADRA2ACYP2C19
SCHEMBL18858405 0.77 DHODH (0.48) DHODHEGFRKDR
SCHEMBL3949861 0.77 CYP2A6 (0.39) KDM4EEGFRKDRALDH1A1IGF1R
SCHEMBL4417849 0.75 NPC1 (0.49) KDM4EGSK3BALDH1A1HPGDGAA

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 4 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
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

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 DHODH 768/4885SYK 1517/4885KDM4E 390/4885

“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.