SCHEMBL806053

SCHEMBL806053

COC(=O)c1ccc(-c2cnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ABCG2 Q9UNQ0 6/20 0.49
EGFR P00533 2/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
BRAF P15056 1/20 0.47
SYK P43405 1/20 0.46
AURKB Q96GD4 2/20 0.46
KDR P35968 2/20 0.46
MAPT P10636 2/20 0.46
CSNK2A1 P68400 1/20 0.46
CTSC P53634 1/20 0.46
RIPK1 Q13546 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL12501138 0.84 MAPK1 (0.59) MAPK1L3MBTL1ABCG2EGFRTSHR
SCHEMBL788243 0.84 KDR (0.66) MAPK1L3MBTL1KDRMAPTLMNA
SCHEMBL787767 0.81 MAPK1 (0.51) MAPK1L3MBTL1ABCG2KDRMAPT
SCHEMBL15052679 0.79 MAPK1 (0.53) MAPK1L3MBTL1ABCG2EGFRBRAF
SCHEMBL788127 0.78 KDR (0.51) MAPK1L3MBTL1ABCG2KDRMAPT
SCHEMBL788256 0.78 KDR (0.51) MAPK1L3MBTL1ABCG2KDRMAPT
SCHEMBL12501156 0.76 CYP1A2 (0.65) ABCG2EGFRTSHRHTTSYK
SCHEMBL787835 0.76 KDR (0.53) MAPK1L3MBTL1ABCG2KDRMAPT
SCHEMBL7912189 0.75 KDR (0.62) KDRMAPTLMNA
SCHEMBL787384 0.75 KDR (0.67) HTTBRAFKDRMAPTPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 MAPK1 51/4885L3MBTL1 2377/4885ABCG2 2473/4885

“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.