SCHEMBL794154

SCHEMBL794154

FC(F)(F)c1cc(Nc2nnc(-c3ccc4cn[nH]c4c3)c3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
CA9 Q16790 1/20 0.46
METAP2 P50579 2/20 0.45
FGFR1 P11362 1/20 0.42
DDR2 Q16832 4/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDR P35968 3/20 0.40
FLT1 P17948 2/20 0.40
GRM4 Q14833 1/20 0.39
SYK P43405 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
GPR174 Q9BXC1 1/20 0.39

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
SCHEMBL793603 0.82 MAPT (0.47) MAPTCA9LMNAGAANPSR1
SCHEMBL788182 0.81 KDR (0.48) MAPTCA9LMNAGAANPSR1
SCHEMBL794078 0.80 MAPT (0.50) MAPTCA9LMNAGAANPSR1
SCHEMBL15077341 0.78 MAPT (0.46) MAPTCA9LMNAKDRGRM4
SCHEMBL793720 0.78 MAPT (0.52) MAPTCA9LMNAGAAKDR
SCHEMBL793582 0.78 MAPT (0.46) MAPTCA9LMNAGAANPSR1
SCHEMBL793282 0.78 CA9 (0.49) MAPTCA9LMNAGAANPSR1
SCHEMBL793766 0.77 MAPT (0.47) MAPTCA9LMNAGAANPSR1
SCHEMBL793250 0.75 MAPT (0.49) MAPTCA9LMNAGAANPSR1
SCHEMBL787650 0.75 CA9 (0.55) MAPTCA9LMNAGAANPSR1

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 7 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
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 4203/4885METAP2 3191/4885

“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.