SCHEMBL788152

SCHEMBL788152

CC(=O)c1cccc(-c2nnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.59
MAPT P10636 4/20 0.52
CA9 Q16790 3/20 0.49
LMNA P02545 1/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
KMT2A Q03164 2/20 0.44
ENPP3 O14638 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE5A O76074 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL787448 0.83 MAPT (0.50) KDRMAPTCA9LMNAKMT2A
SCHEMBL787771 0.83 MAPT (0.58) KDRMAPTCA9KMT2AMEN1
SCHEMBL787904 0.81 KDR (0.57) KDRCA9KMT2AMEN1POLB
SCHEMBL787384 0.81 KDR (0.67) KDRMAPTCA9KMT2AMEN1
SCHEMBL787820 0.81 KDR (0.72) KDRMAPTCA9POLBALDH1A1
SCHEMBL787744 0.81 KDR (0.70) KDRCA9KMT2AENPP3MEN1
SCHEMBL797315 0.78 NSD2 (0.44) KDRMAPTCA9LMNAAKR1C3
SCHEMBL787774 0.77 KDR (0.65) KDRMAPTCA9KMT2AENPP3
SCHEMBL15052555 0.77 KDR (0.58) KDRMAPTCA9KMT2AMEN1
SCHEMBL15052536 0.76 KDR (0.53) KDRMAPTCA9POLBALDH1A1

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 9 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
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 KDR 1782/4885MAPT 2899/4885CA9 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.