SCHEMBL4240572

SCHEMBL4240572

COc1ccc(Cl)cc1-c1cc(Nc2cccc(C(N)=O)c2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 12/20 0.55
CCNT1 O60563 10/20 0.55
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
MAP4K4 O95819 2/20 0.51
CDK1 P06493 2/20 0.51
CDK4 P11802 2/20 0.51
CCNB1 P14635 2/20 0.51
CCND1 P24385 2/20 0.51
ABL2 P42684 2/20 0.51
GSK3A P49840 2/20 0.51
CDK7 P50613 2/20 0.51
CCNH P51946 2/20 0.51
MNAT1 P51948 2/20 0.51
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MAPT P10636 2/20 0.49

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
SCHEMBL4238996 0.89 ABL1 (0.55) CDK9CCNT1ABL1BCRMAP4K4
SCHEMBL4098723 0.88 CDK9 (0.67) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4240575 0.84 AGPAT2 (0.56) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL5733124 0.82 EGFR (0.58) CDK9CCNT1LMNAUSP2ALDH1A1
SCHEMBL13777944 0.81 TUBB4A (0.63) CDK9CCNT1ABL1MAP4K4CDK1
SCHEMBL4114718 0.80 ABL1 (0.51) CDK9CCNT1ABL1BCRMAP4K4
SCHEMBL4101911 0.79 USP2 (0.71) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4107916 0.78 AGPAT2 (0.52) CDK9CCNT1LMNAUSP2ALDH1A1
SCHEMBL4107959 0.78 ABL1 (0.62) CDK9CCNT1ABL1BCRMAPT
SCHEMBL4104299 0.78 ALDH1A1 (0.71) CDK9CCNT1MAP4K4CDK1CDK4

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 CDK9 178/4885CCNT1 712/4885ABL1 75/4885

“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.