SCHEMBL4239735

SCHEMBL4239735

Cc1ccccc1Nc1cc(Nc2cccc(N)c2)ncn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 5/20 0.62
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51
DDX3X O00571 1/20 0.50
MAPK10 P53779 1/20 0.49
CDK4 P11802 1/20 0.48
CDK2 P24941 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
S1PR1 P21453 1/20 0.47
AHR P35869 1/20 0.47
HTT P42858 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL691596 0.84 MEN1 (0.67) TNNI3KCCNT1CDK9ALDH1A1CYP1A2
SCHEMBL5082029 0.83 DDX3X (0.62) DDX3XALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4239725 0.83 AHR (0.47) TNNI3KCDK4CDK2ALDH1A1AHR
SCHEMBL690632 0.82 EGFR (0.62) TNNI3KTSHRMAPK1AHRHTT
SCHEMBL14959187 0.81 THRB (0.62) TNNI3KCCNT1CDK9CYP1A2CYP2D6
SCHEMBL4239727 0.81 TNNI3K (0.60) TNNI3KS1PR1LMNAMAPTBLK
SCHEMBL13777939 0.77 TUBB4A (0.68) TNNI3KDDX3XMAPK10S1PR1EGFR
SCHEMBL2203875 0.77 EGFR (0.55) TNNI3KTSHRMAPK1AHRHTT
SCHEMBL690653 0.77 EGFR (0.58) TNNI3KEGFR
SCHEMBL691710 0.75 MAOB (0.54) TNNI3KCCNT1CDK9AHRKDM4E

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 TNNI3K 477/4885CCNT1 712/4885CDK9 178/4885

“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.