SCHEMBL827733

SCHEMBL827733

NC(=O)Cn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
AURKA O14965 7/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SLC2A1 P11166 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
APP P05067 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
IDH2 P48735 1/20 0.41
SYK P43405 1/20 0.41
KIF11 P52732 1/20 0.40
CTSC P53634 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL827537 0.89 LMNA (0.48) MPOAURKALMNARECQLNPSR1
SCHEMBL827545 0.81 AURKA (0.48) AURKALMNARECQLIDH2SYK
SCHEMBL827934 0.76 MAPT (0.49) AURKALMNARECQLTP53MAPT
SCHEMBL12157930 0.73 PTGDR2 (0.50) MPOAURKASLC2A1P2RX1P2RX4
SCHEMBL860825 0.70 LMNA (0.52) LMNARECQLMAPTIDH2CTSC
SCHEMBL3368726 0.69 CNR1 (0.56) LMNASLC2A1P2RX1P2RX4P2RX7
SCHEMBL12157949 0.68 VCP (0.47) MPOSLC2A1P2RX1P2RX4P2RX7
SCHEMBL25786817 0.68 LMNA (0.47) LMNARECQLNPSR1MAPTSYK
SCHEMBL12157947 0.68 VCP (0.73) NPSR1MAPTEGFR
SCHEMBL10186218 0.67 MAPT (0.48) AURKALMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 MPO 4462/4885AURKA 1533/4885LMNA 4583/4885

“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.