SCHEMBL375767

SCHEMBL375767

Clc1cccc(Cl)c1-c1nc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
JAK2 O60674 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TSHR P16473 2/20 0.36
PDK2 Q15119 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TSPO P30536 1/20 0.33
PNMT P11086 1/20 0.33
NOS1 P29475 1/20 0.33
NOTUM Q6P988 1/20 0.33
GUSB P08236 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMB8 P28062 1/20 0.32
CES1 P23141 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
SCHEMBL9566567 0.74 RAB9A (0.48)
SCHEMBL18920567 0.74 CYP1A2 (0.43) LMNAJAK2CYP1A2CYP2A6TSHR
SCHEMBL125432 0.73 TSHR (0.39) LMNAJAK2CYP1A2CYP2A6TSHR
SCHEMBL20252178 0.73 MEN1 (0.50) LMNAJAK2CYP1A2CYP2A6MEN1
SCHEMBL31175951 0.70 TDP1 (0.40) LMNAJAK2CYP1A2CYP2A6TSHR
SCHEMBL2471569 0.69 TSHR (0.57) LMNACYP1A2CYP2A6TSHRMEN1
SCHEMBL376122 0.68 LMNA (0.73) LMNAMEN1HTTKMT2ANOTUM
SCHEMBL10455684 0.68 TDP1 (0.46) TDP1PSMB8
SCHEMBL4452908 0.66 CYP1A2 (0.45) LMNACYP1A2CYP2A6TSHRPDK2
SCHEMBL9782317 0.66 L3MBTL1 (0.38) LMNAJAK2CYP1A2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102361556-B Pyrimindine-4-ylpropane dinitrile derivatives, method for the production thereof, and use thereof as herbicide and plant growth regulators BAYER CROPSCIENCE AG 2015-02-18 CN disclosed
US-8309557-B2 Pyrimidin-4-ylpropanedinitrile derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
EP-2408305-A1 PYRIMINDINE-4-YLPROPANE DINITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDE AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2012-01-25 EP disclosed
WO-2010108611-A1 PYRIMINDINE-4-YLPROPANE DINITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDE AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-09-30 WO disclosed
US-20100240536-A1 PYRIMIDIN-4-YLPROPANEDINITRILE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-09-23 US disclosed
EP-2229813-A1 Pyrimidine-4-ylpropandinitrile derivatives, method for their manufacture and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2010-09-22 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-20100240536-A1 PYRIMIDIN-4-YLPROPANEDINITRILE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, PLPBP, HPD LMNA 3510/4885JAK2 2912/4885CYP1A2 218/4885

“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.