SCHEMBL787798

SCHEMBL787798

O=C1CCCN1c1ccc(-c2nnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.48
MAPT P10636 7/20 0.47
LMNA P02545 2/20 0.47
KDR P35968 4/20 0.41
CD38 P28907 1/20 0.41
GAA P10253 2/20 0.41
TNKS O95271 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 3/20 0.40
PIP4K2A P48426 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL788084 0.85 CA9 (0.48) CA9MAPTLMNAKDRGAA
SCHEMBL787455 0.79 CA9 (0.50) CA9MAPTLMNAKDRGAA
SCHEMBL793282 0.78 CA9 (0.49) CA9MAPTLMNAKDRGAA
SCHEMBL793667 0.78 CA9 (0.48) CA9MAPTLMNAKDRGAA
SCHEMBL787904 0.77 KDR (0.57) CA9KDRGAANPSR1KMT2A
SCHEMBL787650 0.76 CA9 (0.55) CA9MAPTLMNAKDRGAA
SCHEMBL787771 0.74 MAPT (0.58) CA9MAPTKDRGAANPSR1
SCHEMBL787744 0.74 KDR (0.70) CA9KDRKMT2AALDH1A1
SCHEMBL15052389 0.73 KDR (0.48) CA9MAPTLMNAKDRGAA
SCHEMBL787384 0.73 KDR (0.67) CA9MAPTKDRKMT2ATP53

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 8 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

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 CA9 4203/4885MAPT 2899/4885LMNA 4206/4885

“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.