SCHEMBL14115348

SCHEMBL14115348

CCc1nnc(C)c2cc(OC)c(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
NTRK1 P04629 1/20 0.44
LCK P06239 1/20 0.44
CDK1 P06493 1/20 0.44
CSF1R P07333 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CSNK1D P48730 1/20 0.44

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
SCHEMBL16281253 0.84 KDM4E (0.50) MAPK1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL30493112 0.80 SMN1; SMN2 (0.45) MAPK1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL18029644 0.75 ALDH1A1 (0.45) MAPK1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL23526128 0.73 KDM4E (0.42) MAPK1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL29945735 0.73 KDM4E (0.42) MAPK1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL30493129 0.73 KDM4E (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL31678550 0.71 ALDH1A1 (0.52) MAPK1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL14090807 0.70 KDM4E (0.40) MAPK1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL21538700 0.68 KMT2A (0.44) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7318410 0.67 PDE3B (0.46) MAPK1SMN1; SMN2PDE4APDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 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 (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-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 MAPK1 132/4885SMN1; SMN2 4804/4885PDE4A 2415/4885

“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.