SCHEMBL788076

SCHEMBL788076

CCc1cc(Nc2nnc(-c3ccc(C(=O)OC)cc3)c3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.61
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 2/20 0.49
KLK7 P49862 1/20 0.48
KLK14 Q9P0G3 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
BRAF P15056 1/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL787384 0.92 KDR (0.67) KDRMAPTMEN1KMT2ATP53
SCHEMBL15052319 0.91 KDR (0.52) KDRMAPTMEN1KMT2AKLK7
SCHEMBL787627 0.91 KDR (0.57) KDRMAPTMEN1KMT2ATP53
SCHEMBL787774 0.90 KDR (0.65) KDRMAPTMEN1KMT2ATP53
SCHEMBL788232 0.89 KDR (0.56) KDRMAPTMEN1KMT2ATP53
SCHEMBL788376 0.89 KDR (0.63) KDRMAPTMEN1KMT2ATP53
SCHEMBL787689 0.89 KDR (0.63) KDRMAPTMEN1KMT2ATP53
SCHEMBL15052031 0.88 KDR (0.54) KDRMAPTMEN1KMT2ATP53
SCHEMBL787842 0.88 KDR (0.65) KDRMAPTMEN1KMT2ATP53
SCHEMBL788206 0.88 KDR (0.62) KDRMAPTMEN1KMT2ATP53

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 KDR 1782/4885MAPT 2899/4885MEN1 1681/4885

“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.