SCHEMBL787835

SCHEMBL787835

COC(=O)c1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3cnccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.53
CSNK2A1 P68400 4/20 0.53
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.47
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.44
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
AURKA O14965 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
SCHEMBL15052803 0.90 CSNK2A1 (0.63) KDRCSNK2A1MAPK1MAPTCA9
SCHEMBL788243 0.89 KDR (0.66) KDRMAPK1L3MBTL1MAPTCA9
SCHEMBL787470 0.84 KDR (0.52) KDRCSNK2A1MAPTCSNK2A2CSNK2B
SCHEMBL788127 0.83 KDR (0.51) KDRCSNK2A1MAPK1L3MBTL1MAPT
SCHEMBL788256 0.83 KDR (0.51) KDRMAPK1L3MBTL1MAPTCA9
SCHEMBL787471 0.83 KDR (0.51) KDRCSNK2A1MAPTCSNK2A2CSNK2B
SCHEMBL787384 0.81 KDR (0.67) KDRMAPTCA9
SCHEMBL7912189 0.81 KDR (0.62) KDRMAPTCA9LMNA
SCHEMBL794208 0.81 KDR (0.79) KDRMAPT
SCHEMBL787774 0.80 KDR (0.65) KDRMAPTCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP claimed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO claimed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
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
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
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 KDR 1782/4885CSNK2A1 11/4885MAPK1 51/4885

“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.