SCHEMBL4309455

SCHEMBL4309455

Nc1cc(C(=O)O)ccc1C=Cc1n[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.49
CHEK1 O14757 5/20 0.49
MAP2K4 P45985 3/20 0.48
MAPK6 Q16659 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPKAPK3 Q16644 1/20 0.48
ITK Q08881 2/20 0.47
JAK2 O60674 2/20 0.47
FGFR1 P11362 2/20 0.47
JAK1 P23458 2/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
STK25 O00506 1/20 0.47
CIT O14578 1/20 0.47
RIOK3 O14730 1/20 0.47
IKBKB O14920 1/20 0.47
AURKA O14965 1/20 0.47
GAK O14976 1/20 0.47
DCLK1 O15075 1/20 0.47
CHUK O15111 1/20 0.47

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
SCHEMBL4314034 1.00 KDR (0.49) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL4313875 0.86 KDM4E (0.48) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL4313873 0.86 KDM4E (0.48) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL4312118 0.81 KDR (0.46) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL4312113 0.81 KDR (0.46) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL4309523 0.81 JAK2 (0.56) KDRCHEK1MAP2K4MAPK6ITK
SCHEMBL4309530 0.81 JAK2 (0.56) KDRCHEK1MAP2K4MAPK6ITK
SCHEMBL4314477 0.81 KDR (0.55) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL4314485 0.81 KDR (0.55) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL4322650 0.80 KDM4E (0.42) KDRCHEK1MAP2K4MAPK6ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 EP disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 KDR 75/4885CHEK1 3274/4885MAP2K4 1642/4885

“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.