SCHEMBL4977877

SCHEMBL4977877

Clc1cc(CN2CCOCC2)ccc1Nc1nc(NC2CCOCC2)c2nc[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.49
LRRK2 Q5S007 2/20 0.44
MERTK Q12866 1/20 0.44
PDGFRA P16234 4/20 0.44
FLT3 P36888 1/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
TTK P33981 10/20 0.42
EGFR P00533 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
SCHEMBL4766859 0.95 TTK (0.48) CSF1RLRRK2PDGFRAFLT3AURKA
SCHEMBL4977265 0.94 TTK (0.49) CSF1RLRRK2MERTKPDGFRAFLT3
SCHEMBL4975970 0.92 MERTK (0.43) CSF1RLRRK2MERTKPDGFRAFLT3
SCHEMBL4979267 0.90 TTK (0.51) CSF1RLRRK2MERTKTTK
SCHEMBL4974257 0.89 MERTK (0.40) CSF1RLRRK2MERTKPDGFRAFLT3
SCHEMBL10270515 0.89 LRRK2 (0.55) CSF1RLRRK2TTKEGFR
SCHEMBL4766540 0.85 TTK (0.57) AURKAAURKBTTK
SCHEMBL4767107 0.85 EGFR (0.42) LRRK2TTKEGFR
SCHEMBL4979254 0.85 TTK (0.58) LRRK2MERTKPDGFRAFLT3TTK
SCHEMBL4979599 0.85 MERTK (0.51) CSF1RMERTKTTK

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 CSF1R 4296/4885LRRK2 3245/4885MERTK 1662/4885

“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.