SCHEMBL4580161

SCHEMBL4580161

COc1cc(Nc2nccc(N3CCNC(=O)C3c3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.52
IGF1R P08069 9/20 0.52
ZAP70 P43403 7/20 0.49
PRKD3 O94806 2/20 0.49
PRKCG P05129 2/20 0.49
PRKCB P05771 2/20 0.49
LCK P06239 2/20 0.49
PRKCA P17252 2/20 0.49
PRKCH P24723 2/20 0.49
PRKCI P41743 2/20 0.49
PRKCE Q02156 2/20 0.49
PRKCQ Q04759 2/20 0.49
PRKCZ Q05513 2/20 0.49
PRKCD Q05655 2/20 0.49
PRKD1 Q15139 2/20 0.49
EGFR P00533 1/20 0.49
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45

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
SCHEMBL4580360 0.86 KDR (0.50) EGFR
SCHEMBL4580743 0.86 KDR (0.50) ALKIGF1RIKBKBCHUK
SCHEMBL4579436 0.85 FLT1 (0.52) ALKIGF1RPRKD3PRKCGEGFR
SCHEMBL4582376 0.85 KDR (0.43) ALKPRKCGPRKCAPRKCDEGFR
SCHEMBL4581286 0.82 IDH1 (0.41)
SCHEMBL4581040 0.82 KDR (0.51) ZAP70EGFR
SCHEMBL4580865 0.81 MAPK14 (0.42) EGFR
SCHEMBL4580975 0.81 IKBKB (0.41) ALKIKBKBCHUK
SCHEMBL4580811 0.80 KDR (0.51) ALKIGF1RPRKCAPRKCD
SCHEMBL4582327 0.80 HDAC1 (0.47) PRKD3

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-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 ALK 8/4885IGF1R 207/4885ZAP70 153/4885

“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.