SCHEMBL13064037

SCHEMBL13064037

Clc1cccc(Nc2ncnc3c2c(Nc2cccc(Br)c2)nn3Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.53
ABL1 P00519 4/20 0.53
PRKCA P17252 2/20 0.53
SRC P12931 6/20 0.52
CDK1 P06493 2/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
PRNP P04156 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PRMT5 O14744 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL8122075 1.00 EGFR (0.53) EGFRABL1PRKCASRCCDK1
SCHEMBL8129590 0.94 SRC (0.58) EGFRABL1PRKCASRCCDK1
SCHEMBL8123792 0.93 SRC (0.57) EGFRABL1PRKCASRCCDK1
SCHEMBL13064030 0.88 MAPT (0.62) EGFRABL1PRKCASRCCDK1
SCHEMBL8121867 0.88 MAPT (0.62) EGFRABL1PRKCASRCCDK1
SCHEMBL8125505 0.87 SRC (0.55) EGFRABL1PRKCASRCCDK1
SCHEMBL6185651 0.86 SRC (0.53) EGFRABL1PRKCASRCCDK1
SCHEMBL8121978 0.84 SRC (0.53) EGFRABL1PRKCASRCCDK1
SCHEMBL8129918 0.83 KDM4E (0.54) ABL1MAPTKDM4EHTTPRMT5
SCHEMBL8121850 0.78 PRMT5 (0.48) EGFRABL1PRKCASRCCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B EGFR 3921/4885ABL1 1725/4885PRKCA 548/4885

“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.