SCHEMBL15053199

SCHEMBL15053199

Cc1cc(C(=O)O)ccc1-c1nnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
MAPT P10636 2/20 0.46
KDR P35968 7/20 0.46
CSNK2A1 P68400 3/20 0.43
TRPV1 Q8NER1 2/20 0.42
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41

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
SCHEMBL788177 0.90 KDR (0.51) MAPTKDRTRPV1CA9LMNA
SCHEMBL15052255 0.89 AKR1C3 (0.48) AKR1C3AKR1C2MAPTKDRCSNK2A1
SCHEMBL15053523 0.88 AKR1C3 (0.47) AKR1C3AKR1C2MAPTKDRCSNK2A1
SCHEMBL787904 0.84 KDR (0.57) KDRCA9
SCHEMBL15052555 0.82 KDR (0.58) MAPTKDRCA9TAS2R14
SCHEMBL787702 0.80 KDR (0.51) MAPTKDRCA9
SCHEMBL787781 0.79 KDR (0.53) MAPTKDRTRPV1CA9
SCHEMBL15052536 0.78 KDR (0.53) MAPTKDRCSNK2A1CA9
SCHEMBL12475041 0.78 KDR (0.58) KDRCA9TAS2R14
SCHEMBL15052347 0.78 KDR (0.58) MAPTKDRCA9

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-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US claimed

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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 AKR1C3 3184/4885AKR1C2 2422/4885MAPT 2899/4885

“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.