SCHEMBL12475189

SCHEMBL12475189

O=C(O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 6/20 0.58
P2RX4 Q99571 1/20 0.58
P2RX7 Q99572 1/20 0.58
TMPRSS4 Q9NRS4 1/20 0.54
GPR35 Q9HC97 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIK1 P39086 1/20 0.45
MPO P05164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KIF11 P52732 1/20 0.44
BCHE P06276 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
SCHEMBL12475193 1.00 P2RX1 (0.58) P2RX1P2RX4P2RX7TMPRSS4GPR35
SCHEMBL11010708 0.88 P2RX1 (0.58) P2RX1P2RX4P2RX7TMPRSS4MAPT
SCHEMBL28345196 0.86 P2RX1 (0.57) P2RX1P2RX4P2RX7TMPRSS4GPR35
SCHEMBL9652246 0.83 ALOX5 (0.54) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL15542587 0.82 TGM2 (0.56) P2RX1P2RX4P2RX7TMPRSS4GPR35
SCHEMBL5833345 0.81 GPR35 (0.66) P2RX1P2RX4P2RX7TMPRSS4GPR35
SCHEMBL31609063 0.81 MEN1 (0.69) P2RX1P2RX4P2RX7TMPRSS4MAPT
SCHEMBL11010886 0.80 TRPV1 (0.67) P2RX1P2RX4P2RX7MAPTLMNA
SCHEMBL15077333 0.80 P2RX1 (0.52) P2RX1P2RX4P2RX7TMPRSS4MAPT
Nitric Acid SCHEMBL1673 0.80 P2RX1 (0.51) P2RX1P2RX4P2RX7TMPRSS4GPR35

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 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 P2RX1 1196/4885P2RX4 2542/4885P2RX7 1971/4885

“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.