SCHEMBL4239000

SCHEMBL4239000

COc1ccc(OC)c(-c2cc(Nc3cccc(N)c3)ncn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.59
ERBB3 P21860 2/20 0.59
CCNT1 O60563 11/20 0.55
CDK9 P50750 11/20 0.55
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
MAP4K4 O95819 2/20 0.53
CDK1 P06493 2/20 0.53
CDK4 P11802 2/20 0.53
CCNB1 P14635 2/20 0.53
CCND1 P24385 2/20 0.53
ABL2 P42684 2/20 0.53
GSK3A P49840 2/20 0.53
CDK7 P50613 2/20 0.53
CCNH P51946 2/20 0.53
MNAT1 P51948 2/20 0.53
CDK5 Q00535 2/20 0.53
CCNA2 P20248 1/20 0.53

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
SCHEMBL4240575 0.88 AGPAT2 (0.56) EGFRERBB3CCNT1CDK9MAP4K4
SCHEMBL4098867 0.87 CDK9 (0.71) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4238996 0.84 ABL1 (0.55) EGFRERBB3CCNT1CDK9MEN1
SCHEMBL4107964 0.83 CDK5 (0.62) EGFRERBB3CCNT1CDK9MEN1
SCHEMBL4109034 0.82 CCNT1 (0.71) EGFRERBB3CCNT1CDK9MEN1
SCHEMBL13777943 0.81 TUBB4A (0.73) EGFRERBB3CCNT1CDK9MEN1
SCHEMBL4114723 0.78 CCNT1 (0.51) CCNT1CDK9MEN1NPC1RAB9A
SCHEMBL4108457 0.78 CYP1A2 (0.58) EGFRERBB3CCNT1CDK9MEN1
SCHEMBL4108197 0.77 EGFR (0.53) EGFRERBB3CCNT1CDK9NPC1
SCHEMBL28235042 0.77 ALDH1A1 (0.46) EGFRERBB3MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US claimed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP claimed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 WO claimed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
EP-1943233-A2 COMPOUNDS AND COMPOSITIONS FOR PROTEIN KINASE INHBITORS IRM, LLC (BM) 2008-07-16 EP disclosed
WO-2007056151-A2 PROTEIN KINASE INHBITORS IRM LLC (BM) 2007-05-18 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 EGFR 42/4885ERBB3 3/4885CCNT1 712/4885

“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.