SCHEMBL17318008

SCHEMBL17318008

CCOC(=O)c1sc(-c2cccnc2)nc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.73
DBF4 Q9UBU7 12/20 0.73
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
NFKB1 P19838 1/20 0.61
RAB9A P51151 1/20 0.61
NFKB2 Q00653 1/20 0.61
KMT2A Q03164 1/20 0.61
RELA Q04206 1/20 0.61
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
LMNA P02545 1/20 0.58
CYP2C19 P33261 1/20 0.58
TRPM8 Q7Z2W7 3/20 0.55
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TP53 P04637 1/20 0.49

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
SCHEMBL2881465 0.88 CDC7 (0.72) CDC7DBF4KDM4EMEN1NPC1
SCHEMBL5239544 0.86 CDC7 (0.85) CDC7DBF4KDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL6201525 0.86 CDC7 (0.70) CDC7DBF4KDM4EMEN1NPC1
SCHEMBL27935666 0.86 CDC7 (0.78) CDC7DBF4KDM4EMEN1NPC1
SCHEMBL17317960 0.85 CDC7 (0.72) CDC7DBF4MAPTCYP1A2LMNA
SCHEMBL289392 0.83 CDC7 (0.60) CDC7DBF4KDM4EMEN1NPC1
SCHEMBL290342 0.82 CDC7 (0.72) CDC7DBF4KDM4EMEN1NPC1
SCHEMBL15049258 0.81 CDC7 (0.78) CDC7DBF4KDM4EMEN1MAPT
SCHEMBL17317808 0.80 CYP1A2 (0.60) CDC7DBF4KDM4EMEN1NPC1
SCHEMBL20022399 0.80 CDC7 (0.62) CDC7DBF4KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715424-B Bicyclic compounds as pesticides 拜耳作物科学股份公司 2020-07-14 CN disclosed
EP-3152216-B1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-07-24 EP disclosed
US-10294243-B2 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-21 US disclosed
US-10294243-B2 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-21 US disclosed
US-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
US-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
US-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
EP-3152216-A1 BICYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-04-12 EP disclosed
WO-2015185531-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-10 WO disclosed
WO-2015185531-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-10 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 (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-10294243-B2 Bicyclic compounds as pesticides DDT, BCHE, CYCS CDC7 2198/4885DBF4 145/4885KDM4E 2621/4885
US-20170101422-A1 Bicyclic compounds as pesticides DDT, BCHE, CYCS CDC7 2198/4885DBF4 145/4885KDM4E 2621/4885

“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.