SCHEMBL787771

SCHEMBL787771

CC(=O)Nc1ccc(-c2nnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
POLB P06746 3/20 0.58
KMT2A Q03164 2/20 0.58
KDR P35968 9/20 0.53
CA9 Q16790 1/20 0.53
GAA P10253 1/20 0.52
KLK7 P49862 1/20 0.50
KLK14 Q9P0G3 1/20 0.50
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.49
BRAF P15056 1/20 0.49
HTT P42858 1/20 0.49

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 0.85 KDR (0.57) POLBKMT2AKDRCA9GAA
SCHEMBL787384 0.85 KDR (0.67) MAPTPOLBKMT2AKDRCA9
SCHEMBL787820 0.85 KDR (0.72) MAPTPOLBKDRCA9KLK7
SCHEMBL787744 0.84 KDR (0.70) POLBKMT2AKDRCA9MEN1
SCHEMBL787448 0.83 MAPT (0.50) MAPTPOLBKMT2AKDRCA9
SCHEMBL788152 0.83 KDR (0.59) MAPTPOLBKMT2AKDRCA9
SCHEMBL787650 0.82 CA9 (0.55) MAPTPOLBKDRCA9GAA
SCHEMBL3029240 0.81 GAA (0.80) MAPTPOLBKMT2AKDRGAA
SCHEMBL787774 0.81 KDR (0.65) MAPTPOLBKMT2AKDRCA9
SCHEMBL15052555 0.81 KDR (0.58) MAPTPOLBKMT2AKDRCA9

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 MAPT 2899/4885POLB 3726/4885KMT2A 221/4885

“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.