SCHEMBL787767

SCHEMBL787767

COC(=O)c1ccc(-c2ncc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 3/20 0.49
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
KDR P35968 4/20 0.45
PTK6 Q13882 1/20 0.44
YAP1 P46937 1/20 0.44
TEAD4 Q15561 1/20 0.44
TEAD2 Q15562 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
P2RY1 P47900 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL787451 0.89 AURKA (0.51) MAPTAKR1C3AKR1C2POLBPTK6
SCHEMBL788243 0.83 KDR (0.66) MAPK1L3MBTL1MAPTKDR
SCHEMBL787685 0.83 MAPK1 (0.47) MAPK1L3MBTL1MAPTAKR1C3AKR1C2
SCHEMBL787760 0.81 MAPK1 (0.43) MAPK1L3MBTL1MAPTAKR1C3AKR1C2
SCHEMBL806053 0.81 MAPK1 (0.59) MAPK1L3MBTL1MAPTPOLBKDR
SCHEMBL787835 0.77 KDR (0.53) MAPK1L3MBTL1MAPTKDRABCG2
SCHEMBL788127 0.77 KDR (0.51) MAPK1L3MBTL1MAPTPOLBKDR
SCHEMBL788256 0.77 KDR (0.51) MAPK1L3MBTL1MAPTPOLBKDR
SCHEMBL7912189 0.74 KDR (0.62) MAPTTP53KDRRXFP1
SCHEMBL787384 0.74 KDR (0.67) MAPTTP53POLBKDR

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 MAPK1 51/4885L3MBTL1 2377/4885MAPT 2899/4885

“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.