SCHEMBL376361

SCHEMBL376361

CC(C)(C)c1nc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31

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
SCHEMBL275921 0.80 PDE10A (0.41)
SCHEMBL10220382 0.74 PDE10A (0.32)
SCHEMBL10874600 0.73 ALDH1A1 (0.41) CYP1A2
SCHEMBL2118504 0.73
SCHEMBL1319210 0.73 ALDH1A1 (0.50) CYP1A2
SCHEMBL32675830 0.71 LMNA (0.32)
SCHEMBL4988339 0.71 PDE10A (0.30)
SCHEMBL2116132 0.71
SCHEMBL1350091 0.69 LMNA (0.30)
SCHEMBL27071716 0.67

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
US-20230002398-A1 HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-01-05 US 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 (2 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-20230002398-A1 HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYC1, CYP1A1 CYP1A2 44/4885
US-20100240536-A1 PYRIMIDIN-4-YLPROPANEDINITRILE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, PLPBP, HPD CYP1A2 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.