SCHEMBL793951

SCHEMBL793951

CCOC(=O)c1n[nH]c2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)ccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 1/20 0.48
TP53 P04637 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
KDR P35968 4/20 0.41
POLB P06746 2/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 1/20 0.40

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 0.83 MAPT (0.50) MAPTTP53NPSR1KDRPOLB
SCHEMBL793720 0.82 MAPT (0.52) MAPTTP53KDRCA9LMNA
SCHEMBL15077341 0.81 MAPT (0.46) MAPTTP53KDRCA9LMNA
SCHEMBL788182 0.80 KDR (0.48) MAPTNPSR1KDRCA9LMNA
SCHEMBL793766 0.79 MAPT (0.47) MAPTTP53NPSR1KDRCA9
SCHEMBL793582 0.79 MAPT (0.46) MAPTTP53NPSR1KDRCA9
SCHEMBL3386119 0.78 KDR (0.56) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL7912189 0.77 KDR (0.62) MAPTTP53NPSR1CACNA1BAPBA1
Trifluoroacetic Acid SCHEMBL15052670 0.76 MAPT (0.42) MAPTKDM4ETP53NPSR1KDR
SCHEMBL787384 0.75 KDR (0.67) MAPTTP53ALDH1A1KDRPOLB

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 2899/4885KDM4E 1141/4885TP53 2075/4885

“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.