SCHEMBL2411580

SCHEMBL2411580

Cc1ncc(-c2cccc(C(F)(F)F)c2F)s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.51
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
KDM1A O60341 1/20 0.41
HSD11B1 P28845 3/20 0.40
LIMK1 P53667 1/20 0.39
P2RX7 Q99572 1/20 0.38
GRIN2B Q13224 7/20 0.37
GRIN1 Q05586 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PTGS2 P35354 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL2409309 0.86 HSD11B1 (0.47) PDE3BPDE3AHSD11B1LIMK1ALOX5AP
SCHEMBL4872515 0.82 MPL (0.57) MPLKDM1ALIMK1P2RX7ALOX5AP
SCHEMBL2411380 0.78 MPL (0.44) MPLKDM1ALIMK1P2RX7GRIN2B
SCHEMBL2444868 0.78 CTSA (0.41) LIMK1GRIN2BGRIN1
SCHEMBL17194976 0.75 PDE3B (0.33) PDE3BPDE3ALIMK1ALOX5APFEN1
SCHEMBL15132834 0.74 MPL (0.52) MPLKDM1AHSD11B1P2RX7
SCHEMBL5536337 0.74 CASR (0.42) MPLALOX5APFEN1
SCHEMBL13712823 0.73 MPL (0.74) MPLKDM1AHSD11B1P2RX7GRIN2B
SCHEMBL18415020 0.71 FEN1 (0.42) PDE3BPDE3ALIMK1ALOX5APFEN1
SCHEMBL2403892 0.70 PIK3CD (0.37) LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
EP-2539326-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 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 (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-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 MPL 1085/4885PDE3B 2364/4885PDE3A 2003/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 MPL 1085/4885PDE3B 2364/4885PDE3A 2003/4885

“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.