SCHEMBL343328

SCHEMBL343328

CO/N=C/c1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.40
WDR5 P61964 2/20 0.39
STING1 Q86WV6 1/20 0.38
CHRM3 P20309 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
F10 P00742 2/20 0.36
F2 P00734 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
SCHEMBL343329 1.00 NTRK1 (0.43) NTRK1LMNAPOLBMAPK1WDR5
SCHEMBL9979528 0.93 LMNA (0.44) NTRK1LMNAPOLBMAPK1WDR5
SCHEMBL9979549 0.91 LMNA (0.46) NTRK1LMNAPOLBSTING1CHRM3
SCHEMBL10213365 0.89 ATM (0.48) NTRK1LMNAPOLBMAPK1CHRM3
SCHEMBL14578389 0.88 LMNA (0.47) NTRK1LMNAPOLBSTING1CHRM3
SCHEMBL9979547 0.88 LMNA (0.47) NTRK1LMNAPOLBSTING1CHRM3
SCHEMBL343590 0.87 CHRM3 (0.39) NTRK1LMNAPOLBCHRM3KDM4E
SCHEMBL343589 0.87 CHRM3 (0.39) NTRK1LMNAPOLBCHRM3KDM4E
SCHEMBL14137826 0.87 NTRK1 (0.46) NTRK1LMNAPOLBMAPK1WDR5
SCHEMBL14578312 0.86 LMNA (0.44) NTRK1LMNAPOLBWDR5STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 US claimed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 US claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
EP-2255651-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP claimed
EP-2255644-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP claimed
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN PLANT HEALTH CARE, INC. 2010-07-29 US claimed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 EP claimed
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2009-11-19 US claimed
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-11-12 US claimed
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 US claimed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 US claimed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 US claimed
US-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-13 US disclosed
US-10244755-B2 Fungicidal active compound combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
US-10244755-B2 Fungicidal active compound combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
EP-1802197-B1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER IP GMBH (DE) 2018-02-28 EP disclosed
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 WO disclosed
US-20070060579-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 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 (12 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-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS DDT, CYP4X1, CYP51A1 NTRK1 3233/4885LMNA 4675/4885POLB 3522/4885
US-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN NTRK1 3997/4885LMNA 3752/4885POLB 3094/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 NTRK1 4526/4885LMNA 2739/4885POLB 4719/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 NTRK1 4637/4885LMNA 4622/4885POLB 4382/4885
US-10244755-B2 Fungicidal active compound combinations DDT, CYP4X1, CYP51A1 NTRK1 3233/4885LMNA 4675/4885POLB 3522/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 NTRK1 3426/4885LMNA 2376/4885POLB 2785/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN NTRK1 3997/4885LMNA 3752/4885POLB 3094/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT NTRK1 4614/4885LMNA 4847/4885POLB 4026/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 NTRK1 4114/4885LMNA 4276/4885POLB 3814/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 NTRK1 3913/4885LMNA 4144/4885POLB 3800/4885
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN CYP51A1, ERG28, CYP3A7 NTRK1 4449/4885LMNA 4150/4885POLB 3114/4885
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS CYP51A1, ERG28, CYP4X1 NTRK1 4860/4885LMNA 3763/4885POLB 3583/4885

“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.