SCHEMBL798589

SCHEMBL798589

Cc1n[nH]c2cc(-c3nnc(Nc4cc(CCCN(C)C)cc(C(F)(F)F)c4)c4ccccc34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.38
CA9 Q16790 1/20 0.38
KDR P35968 5/20 0.36
FLT1 P17948 2/20 0.36
TEK Q02763 1/20 0.35
ENPP3 O14638 3/20 0.35
GPR174 Q9BXC1 1/20 0.35
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 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
Trifluoroacetic Acid SCHEMBL15052670 0.95 MAPT (0.42) MAPTLMNACA9KDRTEK
SCHEMBL794078 0.86 MAPT (0.50) MAPTLMNACA9KDRFLT1
SCHEMBL15053080 0.80 MAPT (0.42) MAPTLMNACA9KDRFLT1
SCHEMBL12475637 0.80 KDR (0.47) MAPTCA9KDRTEKENPP3
SCHEMBL15078642 0.80 MAPT (0.44) MAPTLMNACA9KDRFLT1
SCHEMBL15052031 0.79 KDR (0.54) MAPTCA9KDRTEKENPP3
Hydrochloric Acid SCHEMBL788120 0.78 KDR (0.53) MAPTCA9KDRTEKENPP3
SCHEMBL788015 0.78 MAPT (0.41) MAPTLMNACA9KDRTEK
SCHEMBL793720 0.77 MAPT (0.52) MAPTLMNACA9KDRFLT1
SCHEMBL788182 0.76 KDR (0.48) MAPTLMNACA9KDRFLT1

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

“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.