SCHEMBL3455077

SCHEMBL3455077

COC(=NC#N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.42
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
IDO1 P14902 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.35
SRC P12931 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
C1S P09871 1/20 0.34
PRSS3 P35030 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL3455076 1.00 POLB (0.52) POLBTSHRPDE4APDE4BPDE4C
SCHEMBL9217149 0.81 CA2 (0.41) POLBKMT2AALDH1A1MAPTGAA
SCHEMBL9532199 0.81 RAB9A (0.38) TSHRKMT2AALDH1A1RAB9ANPC1
SCHEMBL9532178 0.81 SMN1; SMN2 (0.37) KMT2AALDH1A1NPC1MAPTL3MBTL1
SCHEMBL9532175 0.81 SMN1; SMN2 (0.37) KMT2AALDH1A1NPC1MAPTL3MBTL1
SCHEMBL30827437 0.81 GSK3B (0.40) KMT2AALDH1A1RAB9ANPC1PRSS1
SCHEMBL9217151 0.81 CA2 (0.41) POLBKMT2AALDH1A1MAPTGAA
SCHEMBL15288624 0.80 NPC1 (0.53) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL6444890 0.79 POLB (0.47) POLBTSHRIDO1KMT2AALDH1A1
SCHEMBL6444893 0.79 POLB (0.47) POLBTSHRIDO1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 US disclosed
EP-2384322-B1 PYRIMIDINE DERIVATIVES AND USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2014-08-27 EP disclosed
US-8445408-B2 Pyrimidine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AG (DE) 2013-05-21 US disclosed
EP-2206703-A1 Pyrimidine derivatives and use thereof for combating undesired plant growth Bayer CropScience AG (DE) 2010-07-14 EP disclosed
US-20100167935-A1 Pyrimidine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
US-7396830-B2 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (5 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-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 POLB 1296/4885TSHR 4270/4885PDE4A 95/4885
US-20100167935-A1 Pyrimidine derivatives and their use for controlling undesired plant growth TYMS, TYMP, UMPS POLB 63/4885TSHR 3885/4885PDE4A 1307/4885
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS POLB 4607/4885TSHR 3119/4885PDE4A 551/4885
US-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC POLB 3928/4885TSHR 2537/4885PDE4A 2592/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 POLB 1544/4885TSHR 4278/4885PDE4A 1641/4885

“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.