SCHEMBL19650899

SCHEMBL19650899

CC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.34
RORC P51449 3/20 0.34
AURKA O14965 4/20 0.32
RPS6KB1 P23443 4/20 0.32
AURKB Q96GD4 2/20 0.32
P2RX7 Q99572 4/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
PDPK1 O15530 1/20 0.32
CCRL2 O00421 3/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
ACACB O00763 1/20 0.31
ADAMTS4 O75173 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31

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
SCHEMBL19640638 0.93 RORC (0.34) CSF1RRORCAURKARPS6KB1AURKB
SCHEMBL19640668 0.92 RORC (0.33) CSF1RRORCAURKARPS6KB1AURKB
SCHEMBL19640542 0.89 RORC (0.33) CSF1RRORCAURKARPS6KB1P2RX7
SCHEMBL17501183 0.88 CCRL2 (0.32) CSF1RRORCAURKARPS6KB1AURKB
SCHEMBL19640534 0.88 CSF1R (0.35) CSF1RRORCAURKARPS6KB1AURKB
SCHEMBL29400660 0.88 RORC (0.31) CSF1RRORCP2RX7CCRL2ACACB
SCHEMBL19640704 0.88 CSF1R (0.34) CSF1RRORCAURKARPS6KB1AURKB
SCHEMBL17501303 0.87 CCRL2 (0.32) CSF1RRORCAURKARPS6KB1AURKB
SCHEMBL19640653 0.87 MKNK2 (0.34) CSF1RRORCAURKARPS6KB1
SCHEMBL19640368 0.87 GCGR (0.34) RORCAURKARPS6KB1AURKBP2RX7

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-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 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-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC CSF1R 1645/4885RORC 3/4885AURKA 1448/4885

“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.