SCHEMBL788182

SCHEMBL788182

Nc1n[nH]c2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
AURKA O14965 2/20 0.48
AURKB Q96GD4 2/20 0.48
CA9 Q16790 2/20 0.48
FLT1 P17948 2/20 0.48
PLK4 O00444 1/20 0.48
ROCK2 O75116 1/20 0.48
CHEK2 O96017 1/20 0.48
EGFR P00533 1/20 0.48
NTRK1 P04629 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
KIT P10721 1/20 0.48
EPHA2 P29317 1/20 0.48
FLT4 P35916 1/20 0.48
FLT3 P36888 1/20 0.48
BLK P51451 1/20 0.48
RPS6KA3 P51812 1/20 0.48

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
SCHEMBL794078 0.89 MAPT (0.50) KDRCA9FLT1MAPTGRM4
SCHEMBL15077341 0.86 MAPT (0.46) KDRCA9DYRK1AMAPTGRM4
SCHEMBL793720 0.86 MAPT (0.52) KDRCA9FLT1MAPTGRM4
SCHEMBL793582 0.86 MAPT (0.46) KDRAURKAAURKBCA9FLT1
SCHEMBL793766 0.84 MAPT (0.47) KDRCA9FLT1MAPTGRM4
SCHEMBL793603 0.82 MAPT (0.47) KDRCA9FLT1MAPTGRM4
SCHEMBL794154 0.81 MAPT (0.47) KDRCA9FLT1MAPTGRM4
SCHEMBL793951 0.80 MAPT (0.49) KDRCA9MAPTLMNANPSR1
SCHEMBL793250 0.77 MAPT (0.49) KDRCA9MAPTLMNAGAA
SCHEMBL793756 0.77 CA9 (0.50) KDRCA9FLT1MAPTLMNA

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 9 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
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US 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 1782/4885AURKA 341/4885AURKB 711/4885

“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.