SCHEMBL2693737

SCHEMBL2693737

CC(NC(=O)c1cc(C#N)cc(Br)c1C(N)=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
EGLN1 Q9GZT9 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
SMYD3 Q9H7B4 4/20 0.33
EPHX2 P34913 1/20 0.33
P2RX7 Q99572 2/20 0.32
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL2695321 0.87 EGLN1 (0.41) IRAK4EGLN1NPC1RAB9AJAK2
SCHEMBL2696428 0.86 NPC1 (0.42) IRAK4EGLN1NPC1RAB9AJAK2
SCHEMBL2693742 0.86 IRAK4 (0.40) IRAK4EGLN1NPC1RAB9AJAK2
SCHEMBL2694930 0.82 NPC1 (0.44) NPC1RAB9AJAK2JAK1JAK3
SCHEMBL2695326 0.77 EGLN1 (0.42) IRAK4EGLN1NPC1RAB9AJAK2
SCHEMBL2696430 0.76 NPC1 (0.44) IRAK4EGLN1NPC1RAB9AJAK2
SCHEMBL2778409 0.74 IRAK4 (0.39) IRAK4EGLN1
SCHEMBL2694672 0.72 NPC1 (0.52) NPC1RAB9AJAK2JAK1JAK3
SCHEMBL2695475 0.71 NPC1 (0.48) NPC1RAB9AJAK2JAK1JAK3
SCHEMBL2778413 0.70 TRPM8 (0.39) MEN1TTRALBKMT2A

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300602-B1 PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2020-03-25 EP claimed
US-20160219872-A1 Foamable Pesticide Compositions And Methods Of Application BASF CORPORATION 2016-08-04 US claimed
US-9339030-B2 Foamable pesticide compositions and methods of application BASF CORPORATION (US) 2016-05-17 US claimed
US-20150105258-A1 Methods For Controlling Pests BASF CORPORATION (US) 2015-04-16 US claimed
US-8980294-B2 Methods for controlling pests BASF CORPORATION (US) 2015-03-17 US claimed
US-8940662-B2 Methods for controlling pests BASF CORPORATION (US) 2015-01-27 US claimed
US-20140013654-A1 Foamable Pesticide Compositions BASF CORPORATION 2014-01-16 US claimed
US-20140017216-A1 PESTICIDAL MIXTURES BAYER CROPSCIENCE LP (US) 2014-01-16 US claimed
US-8580710-B2 Pesticidal active mixtures comprising aminothiazoline compounds BASF SE (DE) 2013-11-12 US claimed
US-20130125267-A1 Pesticidal Mixtures BASF SE (DE) 2013-05-16 US claimed
US-20130012386-A1 Methods For Controlling Pests BASF CORPORATION (US) 2013-01-10 US claimed
US-20120149570-A1 Foamable Pesticide Compositions And Methods Of Application BASF CORPORATION (US) 2012-06-14 US claimed
US-20100322892-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF CORPORATION (US) 2010-12-23 US claimed
US-20100323897-A1 FOAMABLE PESTICIDE COMPOSITIONS BASF CORPORATION (US) 2010-12-23 US claimed
US-20100322990-A1 METHODS FOR CONTROLLING PESTS BASF CORPORATION (US) 2010-12-23 US claimed
WO-2010003923-A1 PESTCIDAL ACTIVE MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS I BASF SE (DE) 2010-01-14 WO claimed
US-20220168278-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2022-06-02 US disclosed
EP-3927341-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2021-12-29 EP disclosed
US-20100322892-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF CORPORATION (US) 2010-12-23 US disclosed
WO-2010070035-A1 THIOUREA COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2010-06-24 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 (10 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-20120149570-A1 Foamable Pesticide Compositions And Methods Of Application DDT, PLD1, ACHE IRAK4 4533/4885EGLN1 1702/4885NPC1 1120/4885
US-20220168278-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST P2RX7, CAT, PDE8A IRAK4 2772/4885EGLN1 1162/4885NPC1 3240/4885
US-20100323897-A1 FOAMABLE PESTICIDE COMPOSITIONS DDT, PON1, ACHE IRAK4 3379/4885EGLN1 1382/4885NPC1 1318/4885
US-20130012386-A1 Methods For Controlling Pests DDT, ACHE, PON1 IRAK4 3724/4885EGLN1 1019/4885NPC1 627/4885
US-20130125267-A1 Pesticidal Mixtures DDT, CYP4B1, CYP4X1 IRAK4 4098/4885EGLN1 930/4885NPC1 4332/4885
US-20100322990-A1 METHODS FOR CONTROLLING PESTS DDT, ACHE, PON1 IRAK4 3724/4885EGLN1 1019/4885NPC1 627/4885
US-20100322892-A1 PESTICIDE COMPOSITIONS AND APPLICATORS DDT, ACHE, CHRM2 IRAK4 4477/4885EGLN1 3248/4885NPC1 1127/4885
US-20140013654-A1 Foamable Pesticide Compositions DDT, PON1, ACHE IRAK4 3379/4885EGLN1 1382/4885NPC1 1318/4885
US-20150105258-A1 Methods For Controlling Pests DDT, ACHE, PON1 IRAK4 3724/4885EGLN1 1019/4885NPC1 627/4885
US-20160219872-A1 Foamable Pesticide Compositions And Methods Of Application DDT, PLD1, ACHE IRAK4 4533/4885EGLN1 1702/4885NPC1 1120/4885

“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.