SCHEMBL2436733

SCHEMBL2436733

CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cccc(C)c32)c1-c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.67
PDGFRB P09619 7/20 0.67
EGFR P00533 4/20 0.67
PDGFRA P16234 2/20 0.67
PRKAA1 Q13131 13/20 0.62
PRKAA2 P54646 11/20 0.62
FGFR1 P11362 4/20 0.62
KIT P10721 3/20 0.62
NEK2 P51955 2/20 0.62
MELK Q14680 2/20 0.62
FLT3 P36888 3/20 0.54
PLK4 O00444 2/20 0.54
DCLK1 O15075 2/20 0.54
PDPK1 O15530 2/20 0.54
DAPK3 O43293 2/20 0.54
ROCK2 O75116 2/20 0.54
RPS6KA5 O75582 2/20 0.54
RPS6KA4 O75676 2/20 0.54
MAP4K4 O95819 2/20 0.54
CHEK2 O96017 2/20 0.54

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
SCHEMBL2436739 1.00 KDR (0.67) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4923367 0.84 KDR (0.78) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4923372 0.84 KDR (0.78) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4751129 0.84 KDR (0.80) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL4753375 0.83 KDR (0.64) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL7100124 0.81 KDR (0.57) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL2438125 0.81 KDR (0.68) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL7096348 0.81 KDR (0.75) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL2438130 0.81 KDR (0.68) KDRPDGFRBEGFRPDGFRAPRKAA1
SCHEMBL31726680 0.80 KDR (0.81) KDRPDGFRBEGFRPDGFRAPRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803829-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-28 US claimed
US-20100035876-A1 Use of a Kinase Inhibitor for the Treatment of Particular Resistant Tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-02-11 US claimed
US-20100022532-A1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 US claimed
EP-2007380-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-31 EP claimed
WO-2008145398-A1 4-ARYLPYRROLE SUBSTITUTED 2-INDOLINE DERIVATIVES ACTIVE AS PROTEIN KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2008-12-04 WO claimed
WO-2007113198-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-11 WO claimed
US-8084455-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-27 US disclosed
EP-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP disclosed
US-7803829-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-28 US disclosed
US-20100035876-A1 Use of a Kinase Inhibitor for the Treatment of Particular Resistant Tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-02-11 US disclosed
US-20100022532-A1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 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 (2 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-20100022532-A1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS ABL1, ABL2, LTK KDR 739/4885PDGFRB 194/4885EGFR 388/4885
US-20100035876-A1 Use of a Kinase Inhibitor for the Treatment of Particular Resistant Tumors ABL1, LTK, ABL2 KDR 732/4885PDGFRB 204/4885EGFR 416/4885

“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.