SCHEMBL4481044

SCHEMBL4481044

CN1CCN(CCCOc2ccc(Nc3ncc(C(=O)Nc4ccccc4F)cn3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
BRAF P15056 1/20 0.47
BRD4 O60885 1/20 0.46
JAK1 P23458 1/20 0.46
KDR P35968 5/20 0.46
LCK P06239 2/20 0.46
SRC P12931 2/20 0.46
MET P08581 9/20 0.46
FLT3 P36888 2/20 0.46
BTK Q06187 2/20 0.46
MAPK14 Q16539 1/20 0.46
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
MST1R Q04912 1/20 0.44
WNT3A P56704 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL5686306 0.92 KDR (0.51) EGFRBRD4JAK1KDRLCK
SCHEMBL4496504 0.87 KDR (0.52) EGFRBRAFKDRLCKSRC
SCHEMBL4503003 0.87 MET (0.45) EGFRKDRLCKSRCMET
SCHEMBL5686279 0.87 CSF1R (0.50) EGFRKDRLCKSRCMET
SCHEMBL4497531 0.86 KDR (0.47) EGFRBRAFKDRLCKSRC
SCHEMBL5689079 0.86 KDR (0.47) EGFRBRAFKDRLCKSRC
SCHEMBL5689288 0.85 CSF1R (0.48) EGFRKDRLCKSRCMET
SCHEMBL5686178 0.85 CSF1R (0.52) EGFRKDRLCKSRCMET
SCHEMBL4496624 0.84 KDR (0.44) EGFRBRAFKDRLCKSRC
SCHEMBL4508884 0.84 KDR (0.45) EGFRKDRLCKSRCMET

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 EGFR 2918/4885BRAF 209/4885BRD4 334/4885

“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.