SCHEMBL4260577

SCHEMBL4260577

Cc1ccc(Nc2ncnc(Cl)c2C#N)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 3/20 0.47
EGFR P00533 5/20 0.42
ERBB2 P04626 3/20 0.42
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
EPHA2 P29317 1/20 0.37
GRM4 Q14833 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4267251 0.85 BCL6 (0.45) BCL6EGFRERBB2KDRALDH1A1
SCHEMBL4267681 0.81 EGFR (0.48) BCL6EGFRERBB2HTTTSHR
SCHEMBL4260873 0.80 MAPK13 (0.46) BCL6TSHRHSD17B10KDRALDH1A1
SCHEMBL4272921 0.79 EGFR (0.53) EGFRHTTNPC1MAPTKDM4E
SCHEMBL4274133 0.76 EGFR (0.55) EGFRERBB2SMN1; SMN2KDRMAPT
SCHEMBL4276211 0.76 EGFR (0.55) EGFRERBB2HTTTSHRTP53
SCHEMBL1673854 0.75 PIP4K2A (0.47) BCL6EGFRERBB2HTTTSHR
SCHEMBL4267411 0.74 TTBK1 (0.44) BCL6EGFRERBB2KDRALDH1A1
SCHEMBL4263392 0.74 ERBB2 (0.61) BCL6EGFRERBB2
SCHEMBL1673846 0.73 BCL6 (0.43) BCL6EGFRERBB2HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 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-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 BCL6 4838/4885EGFR 488/4885ERBB2 67/4885

“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.