SCHEMBL787957

SCHEMBL787957

COc1cc(Nc2nnc(Cl)c3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.53
FLT1 P17948 3/20 0.44
EPAS1 Q99814 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
SRC P12931 1/20 0.41
ZAP70 P43403 1/20 0.41
SYK P43405 1/20 0.41
PDE5A O76074 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
ACP1 P24666 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
SCHEMBL787681 0.87 KDR (0.51) KDRFLT1PDE5APDGFRBKIT
SCHEMBL3759288 0.78 KDR (0.63) KDREPAS1
SCHEMBL12475376 0.77 KDR (0.57) KDR
SCHEMBL787842 0.77 KDR (0.65) KDR
SCHEMBL3764417 0.72 SHMT2 (0.60) KDRFLT1PDGFRBKIT
SCHEMBL4826429 0.71 TSHR (0.68) KDRACP1
SCHEMBL7913328 0.71 KDR (0.69) KDR
Hydrochloric Acid SCHEMBL3976391 0.71 LMNA (0.68) ACP1
SCHEMBL657647 0.70 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6SRC
SCHEMBL10338919 0.70 GOT1 (0.61) KDRFLT1EPAS1PDE5APDGFRB

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 3 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
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 1782/4885FLT1 696/4885EPAS1 1509/4885

“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.