SCHEMBL129719

SCHEMBL129719

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2cn3ccccc3n2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.65
▸ CLK1 P49759 1/20 0.61
▸ DYRK1A Q13627 1/20 0.61
▸ KDM4E B2RXH2 6/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ P2RX1 P51575 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ GFER P55789 2/20 0.54
▸ P2RX4 Q99571 2/20 0.54
▸ P2RX7 Q99572 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MIF P14174 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ POLB P06746 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TMPRSS4 Q9NRS4 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ MAPT P10636 3/20 0.52

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
SCHEMBL129981 0.78 P2RX1 (0.62) KMT2AP2RX1MEN1P2RX4P2RX7
SCHEMBL131701 0.77 P2RX1 (0.71) KMT2AP2RX1MEN1P2RX4P2RX7
SCHEMBL15558069 0.76 KDM4E (0.72) KDM4EMAPK1KMT2ARAB9AMEN1
SCHEMBL131825 0.73 P2RX1 (0.61) KDM4EMAPK1KMT2AP2RX1RAB9A
SCHEMBL129734 0.73 P2RX1 (0.66) KMT2AP2RX1MEN1P2RX4P2RX7
SCHEMBL1494801 0.73 MAPT (0.71) CYP1A2KDM4EMAPK1KMT2ARAB9A
SCHEMBL130439 0.72 P2RX1 (0.81) KMT2AP2RX1MEN1P2RX4P2RX7
SCHEMBL22614971 0.72 RAB9A (0.69) CLK1DYRK1AKDM4EMAPK1KMT2A
SCHEMBL127962 0.72 P2RX1 (1.00) KMT2AP2RX1MEN1P2RX4P2RX7
SCHEMBL4728739 0.72 RAB9A (1.00) CYP1A2CLK1DYRK1AKDM4EMAPK1

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
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 — — US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 — — EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 — — EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 — — US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 — — US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 — — EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 — — EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 — — US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 — — EP 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 (2 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP1A2 1547/4885CLK1 3200/4885DYRK1A 4679/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB CYP1A2 1483/4885CLK1 2897/4885DYRK1A 4315/4885

“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.

Send feedback