SCHEMBL20173299

SCHEMBL20173299

Cc1c(C(=O)N(C)C)nnn1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.46
SMURF1 Q9HCE7 5/20 0.44
MET P08581 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 1/20 0.43
KCNN4 O15554 3/20 0.42
POLB P06746 1/20 0.40
GSK3B P49841 1/20 0.40
WNT3A P56704 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL30037241 0.87 MAPT (0.43) MAPTHTTSMURF1METNPSR1
SCHEMBL20162730 0.87 MAPT (0.43) MAPTHTTSMURF1METNPSR1
SCHEMBL2219241 0.84 HTT (0.65) MAPTHTTSMURF1METNPSR1
SCHEMBL17324829 0.84 MAPT (0.64) MAPTHTTSMURF1METNPSR1
SCHEMBL30038081 0.84 HTT (0.65) MAPTHTTSMURF1METNPSR1
SCHEMBL30153810 0.83 MAPT (0.49) MAPTHTTSMURF1METNPSR1
SCHEMBL20162908 0.81 GAA (0.51) MAPTHTTSMURF1METNPSR1
SCHEMBL30036841 0.81 GAA (0.51) MAPTHTTSMURF1METNPSR1
SCHEMBL17321491 0.81 MAPT (0.47) MAPTHTTSMURF1METNPSR1
SCHEMBL19997265 0.81 PTGS2 (0.51) MAPTHTTSMURF1METNPSR1

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-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2018-05-24 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-20180141954-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CFTR, P2RX1, P2RX5 MAPT 4877/4885HTT 4294/4885SMURF1 4488/4885

“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.