SCHEMBL787987

SCHEMBL787987

FC(F)(F)c1cccc(Nc2ncc(Br)c3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.62
ABCG2 Q9UNQ0 5/20 0.62
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
CTSC P53634 1/20 0.51
IDH2 P48735 1/20 0.50
LMNA P02545 1/20 0.49
AR P10275 1/20 0.49
KIF11 P52732 1/20 0.49
KDR P35968 1/20 0.47
AURKB Q96GD4 1/20 0.47
CD38 P28907 1/20 0.47
PTK6 Q13882 1/20 0.47

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
SCHEMBL12501156 0.80 CYP1A2 (0.65) EGFRABCG2TSHRHTTLMNA
SCHEMBL4140858 0.78 CTSC (0.67) CTSCIDH2KDR
SCHEMBL4131488 0.77 KDM4E (0.59) EGFRABCG2CTSCIDH2LMNA
SCHEMBL4131075 0.77 CTSC (0.56) EGFRABCG2CTSCIDH2LMNA
SCHEMBL12501138 0.77 MAPK1 (0.59) EGFRABCG2TSHRHTTLMNA
SCHEMBL30398394 0.77 ABCG2 (0.64) EGFRABCG2TSHRHTTCTSC
SCHEMBL806052 0.77 ABCG2 (0.64) EGFRABCG2TSHRHTTCTSC
SCHEMBL13653032 0.76 LMNA (0.66) EGFRABCG2TSHRHTTCTSC
SCHEMBL15184200 0.75 EGFR (0.57) EGFRABCG2TSHRHTTLMNA
SCHEMBL30754777 0.75 LMNA (0.65) EGFRABCG2TSHRHTTCTSC

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 6 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
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 EGFR 712/4885ABCG2 2473/4885TSHR 1965/4885

“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.