SCHEMBL788243

SCHEMBL788243

COC(=O)c1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.66
CA9 Q16790 1/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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) KDRCA9MAPTMEN1KMT2A
SCHEMBL7912189 0.91 KDR (0.62) KDRCA9MAPTLMNANPSR1
SCHEMBL794208 0.91 KDR (0.79) KDRMAPTMEN1KMT2ANPSR1
SCHEMBL787774 0.90 KDR (0.65) KDRCA9MAPTMEN1KMT2A
SCHEMBL787835 0.89 KDR (0.53) KDRCA9MAPTLMNAMAPK1
SCHEMBL7904950 0.89 KDR (0.66) KDRCA9MAPTLMNANPSR1
SCHEMBL788376 0.88 KDR (0.63) KDRCA9MAPTMEN1KMT2A
SCHEMBL787689 0.88 KDR (0.63) KDRCA9MAPTMEN1KMT2A
SCHEMBL788127 0.88 KDR (0.51) KDRCA9MAPTLMNAMEN1
SCHEMBL788256 0.88 KDR (0.51) KDRCA9MAPTLMNAMEN1

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 1782/4885CA9 4203/4885MAPT 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.