SCHEMBL787744

SCHEMBL787744

NC(=O)c1ccc(-c2nnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.70
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
BRAF P15056 1/20 0.67
HTT P42858 1/20 0.67
ENPP3 O14638 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CA9 Q16790 1/20 0.56

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
SCHEMBL787904 0.90 KDR (0.57) KDRALDH1A1POLBBRAFHTT
SCHEMBL787384 0.87 KDR (0.67) KDRALDH1A1POLBBRAFHTT
SCHEMBL787820 0.87 KDR (0.72) KDRALDH1A1POLBBRAFHTT
SCHEMBL787771 0.84 MAPT (0.58) KDRALDH1A1POLBBRAFHTT
SCHEMBL15052536 0.84 KDR (0.53) KDRALDH1A1POLBBRAFHTT
SCHEMBL15052555 0.83 KDR (0.58) KDRALDH1A1POLBBRAFHTT
SCHEMBL12475041 0.83 KDR (0.58) KDRALDH1A1POLBBRAFHTT
SCHEMBL15052347 0.83 KDR (0.58) KDRALDH1A1POLBBRAFHTT
SCHEMBL787774 0.83 KDR (0.65) KDRALDH1A1POLBBRAFHTT
SCHEMBL787650 0.82 CA9 (0.55) KDRALDH1A1POLBBRAFHTT

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 9 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
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US 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 1782/4885ALDH1A1 1886/4885POLB 3726/4885

“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.