SCHEMBL12475376

SCHEMBL12475376

COc1cc(Nc2nnc(-c3ccc(C(=O)O)cc3)c3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 4/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA9 Q16790 1/20 0.48
ENPP3 O14638 1/20 0.48
KLK7 P49862 1/20 0.47
KLK14 Q9P0G3 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRNP P04156 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL787842 0.92 KDR (0.65) KDRMEN1KMT2AMAPTLMNA
SCHEMBL787904 0.90 KDR (0.57) KDRMEN1KMT2AALDH1A1HTT
SCHEMBL15052555 0.87 KDR (0.58) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL12475264 0.86 KDR (0.62) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL15052536 0.86 KDR (0.53) KDRMAPTALDH1A1HTTCA9
SCHEMBL15052683 0.86 KDR (0.47) KDRMEN1KMT2AMAPTCA9
SCHEMBL15052347 0.85 KDR (0.58) KDRMAPTALDH1A1HTTCA9
SCHEMBL12475041 0.85 KDR (0.58) KDRALDH1A1HTTCA9KLK7
SCHEMBL787384 0.85 KDR (0.67) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL15052319 0.85 KDR (0.52) KDRMEN1KMT2AMAPTALDH1A1

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 3 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

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 KDR 1782/4885MEN1 1681/4885KMT2A 221/4885

“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.