SCHEMBL793582

SCHEMBL793582

O=Cc1n[nH]c2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CA9 Q16790 2/20 0.46
GRM4 Q14833 1/20 0.41
LMNA P02545 1/20 0.41
MAP2K4 P45985 1/20 0.40
KDR P35968 7/20 0.40
FLT1 P17948 3/20 0.40
GAA P10253 1/20 0.38
GPR174 Q9BXC1 1/20 0.38
ENPP3 O14638 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL788182 0.86 KDR (0.48) MAPTCA9GRM4LMNAMAP2K4
SCHEMBL794078 0.85 MAPT (0.50) MAPTCA9GRM4LMNAMAP2K4
SCHEMBL15077341 0.83 MAPT (0.46) MAPTCA9GRM4LMNAMAP2K4
SCHEMBL793720 0.83 MAPT (0.52) MAPTCA9GRM4LMNAMAP2K4
SCHEMBL793766 0.81 MAPT (0.47) MAPTCA9GRM4LMNAMAP2K4
SCHEMBL787650 0.80 CA9 (0.55) MAPTCA9LMNAKDRFLT1
SCHEMBL793603 0.79 MAPT (0.47) MAPTCA9GRM4LMNAKDR
SCHEMBL793951 0.79 MAPT (0.49) MAPTCA9LMNAKDRNPSR1
SCHEMBL794154 0.78 MAPT (0.47) MAPTCA9GRM4LMNAKDR
SCHEMBL793282 0.74 CA9 (0.49) MAPTCA9LMNAKDRFLT1

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 5 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
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 MAPT 2899/4885CA9 4203/4885GRM4 3787/4885

“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.