SCHEMBL6420907

SCHEMBL6420907

CN(C)CCOc1ccc2c(c1)nc(N)n2CC(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.46
SRC P12931 3/20 0.46
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HPGD P15428 1/20 0.38
CNR2 P34972 1/20 0.37
CXCL8 P10145 1/20 0.37
NOD1 Q9Y239 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL6420903 0.85 FGFR1 (0.43) FGFR1SRCALDH1A1POLBCHRNB2
SCHEMBL6270717 0.82 ALDH1A1 (0.61) ALDH1A1POLBHTT
SCHEMBL21311008 0.79 EGFR (0.39) ALDH1A1POLBHTTCNR2
SCHEMBL21310826 0.77 LCK (0.39) NOS1NOS2CNR2KEAP1NFE2L2
SCHEMBL21310889 0.77 BACE1 (0.39) ALDH1A1POLBHTTKDM4ECNR2
SCHEMBL21310824 0.76 ALDH1A1 (0.37) ALDH1A1POLBHTTCNR2
SCHEMBL6420487 0.76 KDM4E (0.50) ALDH1A1POLBHTTKDM4ECNR2
SCHEMBL21310819 0.75 TLR8 (0.58) ALDH1A1POLBHTTKDM4ECNR2
SCHEMBL6271298 0.75 RPS6KA5 (0.45) ALDH1A1POLBHTTKDM4ECNR2
SCHEMBL6270099 0.75 ITK (0.46) ALDH1A1POLBHTT

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-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK FGFR1 851/4885SRC 313/4885ALDH1A1 3145/4885

“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.