SCHEMBL4313807

SCHEMBL4313807

CCN(CC)CCOc1ccc(N)c(/C=C/c2n[nH]c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
LTA4H P09960 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KDR P35968 4/20 0.38
ALK Q9UM73 2/20 0.38
CHEK1 O14757 3/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 1/20 0.38
MARK3 P27448 1/20 0.38
FLT3 P36888 1/20 0.38
CLK2 P49760 1/20 0.38

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
SCHEMBL4313814 1.00 LMNA (0.39) LMNACYP1A2CYP2D6LTA4HCYP2C9
SCHEMBL4314474 0.84 ALK (0.39) LMNACYP1A2CYP2D6KDRALK
SCHEMBL4314480 0.84 ALK (0.39) LMNACYP1A2CYP2D6KDRALK
Hydrochloric Acid SCHEMBL5693151 0.82 MCHR1 (0.47) CYP1A2CYP2D6LTA4HCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5693148 0.82 MCHR1 (0.47) CYP1A2CYP2D6LTA4HCYP2C9CYP2C19
SCHEMBL4311665 0.78 DRD2 (0.35) LMNAKDRCHEK1FLT3ACHE
SCHEMBL4311662 0.78 DRD2 (0.35) LMNAKDRCHEK1FLT3ACHE
SCHEMBL4313776 0.77 KDR (0.44) KDRCHEK1FLT3KDM4ENTRK1
SCHEMBL4313787 0.77 KDR (0.44) KDRCHEK1FLT3KDM4ENTRK1
SCHEMBL4312096 0.77 FGFR1 (0.49) LTA4HKDRADORA2AADORA1MAPT

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 3 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

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 LMNA 4397/4885CYP1A2 2250/4885CYP2D6 3041/4885

“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.