SCHEMBL788015

SCHEMBL788015

Cc1nn(C(=O)OC(C)(C)C)c2cc(-c3nnc(Nc4cc(CCCN(C)C)cc(C(F)(F)F)c4)c4ccccc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
KDR P35968 5/20 0.38
TEK Q02763 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAP2K4 P45985 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL15053080 0.91 MAPT (0.42) MAPTKDRTEKLMNATP53
Trifluoroacetic Acid SCHEMBL15052670 0.79 MAPT (0.42) MAPTKDRTEKLMNATP53
SCHEMBL15052031 0.79 KDR (0.54) MAPTKDRTEKTP53KDM4E
SCHEMBL12475637 0.79 KDR (0.47) MAPTKDRTEKTP53NPSR1
Hydrochloric Acid SCHEMBL788120 0.78 KDR (0.53) MAPTKDRTEKTP53KDM4E
SCHEMBL798589 0.78 MAPT (0.43) MAPTKDRTEKLMNATP53
SCHEMBL15078642 0.75 MAPT (0.44) MAPTKDRTEKLMNATP53
SCHEMBL788232 0.74 KDR (0.56) MAPTKDRTP53SMN1; SMN2KDM4E
SCHEMBL15053365 0.74 KDR (0.49) MAPTKDRTP53NPSR1POLB
SCHEMBL788190 0.71 MAP2K4 (0.39) MAPTTP53MAP2K4POLBKMT2A

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 2899/4885KDR 1782/4885TEK 310/4885

“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.