SCHEMBL601042

SCHEMBL601042

Oc1cc(C(F)(F)F)nc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRHR2 Q13324 1/20 0.32
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 3/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL1759453 0.85 CCNE2 (0.36) POLBALDH1A1CCNE2CDK4CCND1
SCHEMBL601813 0.85 HSP90AA1 (0.37) HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR
SCHEMBL3293782 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL1258669 0.79 HSP90AA1 (0.38) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL844401 0.76 HSP90AA1 (0.35) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL31347570 0.76 NT5E (0.37) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL10889888 0.76 HSP90AA1 (0.39) HSP90AA1HSP90AB1CCNE2CDK4CCND1
SCHEMBL603692 0.76 HSP90AA1 (0.44) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL1143614 0.76 HSP90AA1 (0.59) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL2441449 0.76 BACE1 (0.35) HSP90AA1HSP90AB1LMNAALDH1A1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-0350691-B2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF AG (DE) 1999-07-28 EP disclosed
US-5378711-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5326767-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5194438-A Plant safe fungicides BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5157037-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
EP-0350691-A2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF Aktiengesellschaft (DE) 1990-01-17 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS HSP90AA1 3094/4885HSP90AB1 3128/4885LMNA 3242/4885

“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.