SCHEMBL4503003

SCHEMBL4503003

CN1CCN(CCCOc2ccc(Nc3ncc(C(=O)Nc4c(F)cc(F)cc4F)cn3)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.45
KDR P35968 10/20 0.45
CSF1R P07333 2/20 0.45
LCK P06239 2/20 0.45
SRC P12931 2/20 0.45
MAPK14 Q16539 1/20 0.45
MAPK8 P45983 1/20 0.43
EGFR P00533 6/20 0.43
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL5689079 0.93 KDR (0.47) METKDRCSF1RLCKSRC
SCHEMBL5689288 0.93 CSF1R (0.48) METKDRCSF1RLCKSRC
SCHEMBL4488804 0.92 KDR (0.52) METKDRLCKSRCMAPK14
SCHEMBL4496504 0.90 KDR (0.52) METKDRCSF1RLCKSRC
SCHEMBL4497531 0.90 KDR (0.47) METKDRCSF1RLCKSRC
SCHEMBL5686279 0.89 CSF1R (0.50) METKDRCSF1RLCKSRC
SCHEMBL4481044 0.87 EGFR (0.47) METKDRLCKSRCMAPK14
SCHEMBL5686300 0.86 KDR (0.50) METKDRLCKSRCMAPK14
SCHEMBL5686178 0.86 CSF1R (0.52) METKDRCSF1RLCKSRC
SCHEMBL5686145 0.84 TNK2 (0.50) METKDRLCKSRCMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 MET 2515/4885KDR 3785/4885CSF1R 893/4885

“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.