SCHEMBL678840

SCHEMBL678840

Nc1cccc(-c2ccc3[nH]c4ncccc4c3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
MAPT P10636 9/20 0.45
CHEK1 O14757 1/20 0.43
CA5A P35218 1/20 0.42
PIM1 P11309 2/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
JAK2 O60674 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
CDC7 O00311 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
FLT3 P36888 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CLK2 P49760 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
SCHEMBL13464097 0.84 CDK2 (0.54) PDPK1MAPTCHEK1PIM1PRKACA
SCHEMBL676191 0.81 ROCK2 (0.48) MAPTCHEK1PIM1ROCK2GSK3B
SCHEMBL13460961 0.80 AXL (0.47) PDPK1MAPTCHEK1PIM1MAP4K4
SCHEMBL12093381 0.76 ADORA2A (0.51) MAPTCHEK1JAK2MEN1KMT2A
SCHEMBL4958453 0.75 CHEK1 (0.53) MAPTCHEK1CA5ARIPK1MEN1
SCHEMBL4961010 0.75 CHEK1 (0.53) MAPTCHEK1CA5ARIPK1MEN1
SCHEMBL679102 0.73 RIPK1 (0.52) MAPTCHEK1CDC7GSK3BCDK5
SCHEMBL16761004 0.72 ADORA2A (0.48) MAPTCHEK1MEN1KMT2A
SCHEMBL12513165 0.71 CHEK1 (0.63) MAPTCHEK1CA5AMEN1KMT2A
SCHEMBL676863 0.70 TLR8 (0.50) PDPK1MAPTCHEK1CDK7MEN1

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 PDPK1 891/4885MAPT 1494/4885CHEK1 1744/4885

“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.