SCHEMBL5496719

SCHEMBL5496719

O=C(Nc1cccc(C(F)(F)F)c1)c1cc(I)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 14/20 0.60
P2RX1 P51575 2/20 0.60
PTGS1 P23219 1/20 0.59
SLC2A1 P11166 1/20 0.58
P2RX4 Q99571 1/20 0.58
P2RX7 Q99572 1/20 0.58
TMPRSS4 Q9NRS4 1/20 0.58
LCK P06239 2/20 0.58
KDR P35968 1/20 0.58
TEK Q02763 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL17664370 0.90 MEN1 (0.54) RXFP1P2RX1SLC2A1P2RX4P2RX7
SCHEMBL330133 0.87 P2RX1 (0.73) RXFP1P2RX1PTGS1SLC2A1P2RX4
SCHEMBL17664198 0.87 RXFP1 (0.53) RXFP1LCKKDRTEKMAPT
SCHEMBL21416909 0.86 RXFP1 (0.46) RXFP1P2RX1PTGS1SLC2A1P2RX4
SCHEMBL25231718 0.84 MEN1 (0.67) RXFP1P2RX1PTGS1SLC2A1P2RX4
SCHEMBL29537581 0.84 MEN1 (0.67) RXFP1P2RX1PTGS1SLC2A1P2RX4
SCHEMBL20577892 0.84 P2RX1 (0.60) RXFP1P2RX1PTGS1SLC2A1P2RX4
SCHEMBL26075815 0.83 P2RX1 (0.59) RXFP1P2RX1PTGS1SLC2A1P2RX4
SCHEMBL13202464 0.81 RXFP1 (0.62) RXFP1P2RX1PTGS1LCKMAPT
SCHEMBL26077933 0.81 P2RX1 (0.56) RXFP1P2RX1PTGS1SLC2A1P2RX4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 RXFP1 3174/4885P2RX1 478/4885PTGS1 112/4885

“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.