SCHEMBL787431

SCHEMBL787431

C=Cc1cc(Nc2nnc(-c3ccc(C(=O)OC)cc3)c3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.59
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA9 Q16790 1/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
KLK7 P49862 1/20 0.45
KLK14 Q9P0G3 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
BRAF P15056 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 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
SCHEMBL787384 0.91 KDR (0.67) KDRMEN1KMT2ACA9MAPT
SCHEMBL787774 0.89 KDR (0.65) KDRMEN1KMT2ACA9MAPT
SCHEMBL787689 0.87 KDR (0.63) KDRMEN1KMT2ACA9MAPT
SCHEMBL788376 0.87 KDR (0.63) KDRMEN1KMT2ACA9MAPT
SCHEMBL788119 0.86 KDR (0.70) KDRMEN1KMT2ACA9MAPT
SCHEMBL787842 0.86 KDR (0.65) KDRMEN1KMT2ACA9MAPT
SCHEMBL12475264 0.86 KDR (0.62) KDRMEN1KMT2ACA9MAPT
SCHEMBL788206 0.86 KDR (0.62) KDRMEN1KMT2ACA9MAPT
SCHEMBL788076 0.85 KDR (0.61) KDRMEN1KMT2ACA9MAPT
SCHEMBL788243 0.85 KDR (0.66) KDRMEN1KMT2ACA9MAPT

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 6 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
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 1782/4885MEN1 1681/4885KMT2A 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.