SCHEMBL787470

SCHEMBL787470

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.52
CSNK2A1 P68400 3/20 0.47
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL15053484 0.90 KDR (0.48) KDRCSNK2A1CSNK2A2CSNK2BIDO1
SCHEMBL787703 0.89 KDR (0.66) KDRMEN1KMT2AMAPT
SCHEMBL15077236 0.85 KDR (0.49) KDRKMT2AIDO1KDM4EMAPT
SCHEMBL787835 0.84 KDR (0.53) KDRCSNK2A1CSNK2A2CSNK2BABCG2
SCHEMBL787471 0.83 KDR (0.51) KDRCSNK2A1CSNK2A2CSNK2BMEN1
SCHEMBL15052558 0.79 KDR (0.61) KDRMEN1KMT2AKDM4EMAPT
SCHEMBL806102 0.77 KDR (0.68) KDRMEN1KMT2AMAPT
SCHEMBL787685 0.77 MAPK1 (0.47) KDRABCG2KDM4EMAPTABCB1
SCHEMBL806125 0.76 KDR (0.72) KDRMEN1KMT2AMAPT
SCHEMBL806103 0.76 KDR (0.78) KDRMEN1KMT2AMAPT

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 7 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
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 11/4885CSNK2A2 14/4885

“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.