SCHEMBL1555088

SCHEMBL1555088

COCC(=O)Nc1cc(Br)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.54
▸ RIOK2 Q9BVS4 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.48
▸ ABL1 P00519 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ MAPK10 P53779 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ TP53 P04637 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2563299 0.83 KDM4C (0.46) HPGDRIOK2ALDH1A1ABL1MAPK10
SCHEMBL12461245 0.83 SMN1; SMN2 (0.63) RIOK2ALDH1A1MAPK10SMN1; SMN2L3MBTL1
SCHEMBL1554419 0.83 RIOK2 (0.57) RIOK2ALDH1A1EGFRSMN1; SMN2L3MBTL1
SCHEMBL15941191 0.82 HPGD (0.56) HPGDRIOK2ALDH1A1EGFRMAPK10
SCHEMBL30514764 0.82 ALDH1A1 (0.55) HPGDRIOK2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL22432119 0.82 ALDH1A1 (0.55) HPGDRIOK2ALDH1A1MAPK10SMN1; SMN2
SCHEMBL26686195 0.82 EGFR (0.46) HPGDRIOK2ALDH1A1ABL1EGFR
SCHEMBL25997635 0.82 NPC1 (0.48) HPGDRIOK2ALDH1A1ABL1MAPK10
SCHEMBL15011770 0.82 MAPK10 (0.45) HPGDRIOK2ALDH1A1ABL1MAPK10
SCHEMBL16913891 0.81 RIOK2 (0.56) RIOK2ALDH1A1ABL1MAPK10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 — — EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 — — EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 — — EP disclosed
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 — — EP disclosed
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 — — US disclosed
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 — — EP disclosed
EP-2486031-A2 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2012-08-15 — — EP disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 — — US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 — — US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 — — WO disclosed
WO-2011042389-A2 PHENYLPYRI(MI)DINYLAZOLES BAYER CROPSCIENCE AG (DE) 2011-04-14 — — WO disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 — — 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 (3 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN HPGD 1244/4885RIOK2 2706/4885ALDH1A1 516/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN HPGD 1244/4885RIOK2 2706/4885ALDH1A1 516/4885
US-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 HPGD 3111/4885RIOK2 2163/4885ALDH1A1 1184/4885

“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.

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