SCHEMBL787448

SCHEMBL787448

CC(=O)c1ccc(-c2nnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDR P35968 9/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 2/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
ENPP3 O14638 2/20 0.44
GAA P10253 1/20 0.43
KLK7 P49862 1/20 0.42
KLK14 Q9P0G3 1/20 0.42
GPR174 Q9BXC1 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL788152 0.83 KDR (0.59) MAPTKDRCA9POLBKMT2A
SCHEMBL787771 0.83 MAPT (0.58) MAPTKDRCA9POLBKMT2A
SCHEMBL787904 0.80 KDR (0.57) KDRCA9POLBKMT2AGAA
SCHEMBL787820 0.79 KDR (0.72) MAPTKDRCA9POLBKLK7
SCHEMBL787384 0.79 KDR (0.67) MAPTKDRCA9POLBKMT2A
SCHEMBL787744 0.79 KDR (0.70) KDRCA9POLBKMT2AENPP3
SCHEMBL15052536 0.76 KDR (0.53) MAPTKDRCA9POLBKLK7
SCHEMBL797315 0.76 NSD2 (0.44) MAPTKDRCA9POLBKMT2A
SCHEMBL787650 0.76 CA9 (0.55) MAPTKDRCA9POLBLMNA
SCHEMBL788376 0.76 KDR (0.63) MAPTKDRCA9POLBKMT2A

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 5 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 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

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 MAPT 2899/4885KDR 1782/4885CA9 4203/4885

“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.