SCHEMBL793766

SCHEMBL793766

CNCc1n[nH]c2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)ccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KDR P35968 5/20 0.43
FLT1 P17948 2/20 0.43
CA9 Q16790 2/20 0.42
LMNA P02545 1/20 0.42
GRM4 Q14833 1/20 0.40
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP2K4 P45985 1/20 0.37
GPR174 Q9BXC1 1/20 0.37
GAA P10253 1/20 0.37
ENPP3 O14638 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL793720 0.91 MAPT (0.52) MAPTKDRFLT1CA9LMNA
SCHEMBL794078 0.85 MAPT (0.50) MAPTKDRFLT1CA9LMNA
SCHEMBL788182 0.84 KDR (0.48) MAPTKDRFLT1CA9LMNA
SCHEMBL15077341 0.83 MAPT (0.46) MAPTKDRCA9LMNAGRM4
SCHEMBL793582 0.81 MAPT (0.46) MAPTKDRFLT1CA9LMNA
SCHEMBL793951 0.79 MAPT (0.49) MAPTKDRCA9LMNATP53
SCHEMBL793603 0.77 MAPT (0.47) MAPTKDRFLT1CA9LMNA
SCHEMBL794154 0.77 MAPT (0.47) MAPTKDRFLT1CA9LMNA
SCHEMBL798589 0.75 MAPT (0.43) MAPTKDRFLT1CA9LMNA
SCHEMBL793250 0.75 MAPT (0.49) MAPTKDRCA9LMNASMN1; SMN2

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 MAPT 2899/4885KDR 1782/4885FLT1 696/4885

“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.