SCHEMBL1937545

SCHEMBL1937545

COc1cc(OC)cc(-c2c(-c3ccccc3F)n[nH]c(=O)c2-c2c(F)cc(F)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 3/20 0.40
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
DHODH Q02127 1/20 0.39
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
HSP90AA1 P07900 1/20 0.37
MAP4K1 Q92918 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TEK Q02763 1/20 0.36
PDGFRB P09619 1/20 0.35
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1936059 0.89 PRMT5 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL14324623 0.80 TP53 (0.40) DHODHABL1ABCB1BCRMEN1
SCHEMBL1937723 0.78 ABL1 (0.38) DHODHTEKABL1ABCB1BCR
SCHEMBL1937496 0.78 ABL1 (0.38) DHODHTEKABL1ABCB1BCR
SCHEMBL1937699 0.77 ABL1 (0.37) DHODHTEKABL1ABCB1BCR
SCHEMBL1937991 0.73 ABL1 (0.39) DHODHTEKABL1ABCB1BCR
SCHEMBL2348136 0.72 DRD1 (0.43) GSK3AGSK3BDYRK1ANPC1RAB9A
SCHEMBL17514802 0.71 ALDH1A1 (0.48) ABL1ABCB1BCR
SCHEMBL1560182 0.71 NPC1 (0.41) TEKABL1ABCB1BCRNPC1
SCHEMBL1937701 0.70 TP53 (0.36) TEKABL1ABCB1BCRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330891-A1 FUNGICIDAL PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2011-06-15 EP disclosed
US-20110136762-A1 FUNGICIDAL PYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US disclosed
WO-2010036553-A1 FUNGICIDAL PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-01 WO 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-20110136762-A1 FUNGICIDAL PYRIDAZINES PRDX1, PNPO, PRXL2A CCNE2 1585/4885CDK4 2298/4885CCND1 1174/4885

“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.