SCHEMBL376122

SCHEMBL376122

Clc1nc(-c2ccccc2)nc(Cl)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.73
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
HTT P42858 1/20 0.68
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2B P29275 1/20 0.50
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
DHPS P49366 1/20 0.44
NOTUM Q6P988 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL2117995 0.95 LMNA (0.68) LMNAMEN1KMT2AHTTADORA2A
SCHEMBL4564448 0.85 LMNA (1.00) LMNAMEN1KMT2AHTTADORA2A
SCHEMBL3427195 0.83 MEN1 (0.65) LMNAMEN1KMT2AHTTADORA2A
SCHEMBL1373850 0.81 LMNA (0.68) LMNAMEN1KMT2AHTTADORA2A
SCHEMBL31401918 0.81 KMT2A (0.63) LMNAMEN1KMT2AHTTADORA2A
SCHEMBL10367664 0.81 MEN1 (0.63) LMNAMEN1KMT2AHTTADORA2A
SCHEMBL4663325 0.81 MEN1 (1.00) LMNAMEN1KMT2AHTTADORA2A
SCHEMBL375967 0.80 NPC1 (0.58) LMNAMEN1KMT2AHTTADORA3
SCHEMBL31626660 0.79 MEN1 (0.61) LMNAMEN1KMT2AHTTADORA2A
SCHEMBL22112418 0.78 MEN1 (0.54) LMNAMEN1KMT2AHTTADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3510/4885MEN1 3857/4885KMT2A 2759/4885

“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.