SCHEMBL1553690

SCHEMBL1553690

c1cnc(Nc2cccs2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 9/20 0.45
MEN1 O00255 10/20 0.41
KMT2A Q03164 10/20 0.41
RAB9A P51151 10/20 0.41
GAA P10253 8/20 0.41
SMN1; SMN2 Q16637 8/20 0.40
MAPT P10636 6/20 0.40
KDR P35968 1/20 0.37
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
TYR P14679 2/20 0.37
KDM4E B2RXH2 2/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 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
SCHEMBL4951590 0.83 NPC1 (0.36) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL1935183 0.80 MEN1 (0.38) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL717594 0.78 GAA (0.42) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL7720808 0.78 NPC1 (0.61) NPC1MEN1KMT2ARAB9AGAA
SCHEMBL7254231 0.75 ALDH1A1 (0.47) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL14869497 0.74 GAA (0.43) NPC1MEN1KMT2ARAB9AGAA
SCHEMBL14869535 0.74 CA12 (0.39) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL28318668 0.71 GLO1 (0.56) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL14869496 0.70 ALDH1A1 (0.54) ALDH1A1KMT2AGAAKDM4ELMNA
SCHEMBL2174053 0.69 ALDH1A1 (0.53) ALDH1A1NPC1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331532-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP claimed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
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
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
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
EP-2486031-A2 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2012-08-15 EP disclosed
US-20110237612-A1 Thienylamino pyrimidines for use as Fungicides BAYERCROPSCIENCE AG (DE) 2011-09-29 US disclosed
US-20110237612-A1 Thienylamino pyrimidines for use as Fungicides BAYERCROPSCIENCE AG (DE) 2011-09-29 US disclosed
US-20110237612-A1 Thienylamino pyrimidines for use as Fungicides BAYERCROPSCIENCE AG (DE) 2011-09-29 US disclosed
CN-102203086-A Thienylamino pyrimidines for use as fungicides BAYER CROPSCIENCE AG 2011-09-28 CN disclosed
CN-102203086-A Thienylamino pyrimidines for use as fungicides BAYER CROPSCIENCE AG 2011-09-28 CN disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2331532-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2331532-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP 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
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 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 (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-20110237612-A1 Thienylamino pyrimidines for use as Fungicides TYMP, TYMS, TPMT ALDH1A1 805/4885NPC1 4603/4885MEN1 2405/4885
US-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN ALDH1A1 516/4885NPC1 3221/4885MEN1 1254/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN ALDH1A1 516/4885NPC1 3221/4885MEN1 1254/4885

“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.