SCHEMBL1968459

SCHEMBL1968459

FC(F)(F)c1cc(NC2CC2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.46
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
MAPK1 P28482 1/20 0.39
IDH2 P48735 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
XPO1 O14980 1/20 0.38
LMNA P02545 2/20 0.37
GPR35 Q9HC97 1/20 0.37
P2RX1 P51575 1/20 0.37
TACR1 P25103 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL24632339 0.92 RHOC (0.44) MALT1RHOCRHOARAPGEF4MAPT
SCHEMBL24512914 0.92 RHOC (0.44) MALT1RHOCRHOARAPGEF4MAPT
SCHEMBL16904560 0.88 MALT1 (0.42) MALT1RHOCRHOARAPGEF4CNR2
SCHEMBL24513120 0.81 MALT1 (0.38) MALT1RHOCRHOARAPGEF4CNR2
SCHEMBL1420520 0.80 MALT1 (0.66) MALT1RAPGEF4MAPTIDH2MEN1
SCHEMBL16904557 0.80 CTSC (0.43) MAPTCNR2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1669945 0.79 MALT1 (0.64) MALT1RAPGEF4MAPTIDH2MEN1
SCHEMBL2727460 0.78 MEN1 (0.47) MALT1RHOCRHOAMEN1KMT2A
SCHEMBL24513123 0.78 P2RX1 (0.59) RHOCRHOAMEN1KMT2AP2RX1
SCHEMBL24513121 0.78 P2RX1 (0.59) RHOCRHOAMEN1KMT2AP2RX1

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
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 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 (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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B MALT1 1096/4885RHOC 2678/4885RHOA 3930/4885

“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.