SCHEMBL4364340

SCHEMBL4364340

CCOCCc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
GDA Q9Y2T3 1/20 0.49
CDK1 P06493 14/20 0.46
CCNB1 P14635 14/20 0.46
CCNA2 P20248 12/20 0.46
CDK2 P24941 12/20 0.46
CCNA1 P78396 12/20 0.46
PIN1 Q13526 1/20 0.45
POLA1 P09884 1/20 0.43
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
LMNA P02545 1/20 0.39
DRD3 P35462 1/20 0.39
XDH P47989 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MGMT P16455 2/20 0.39

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
SCHEMBL29478477 0.85 PDPK1 (0.51) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL7165317 0.85 PDPK1 (0.51) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL8400853 0.84 PDPK1 (0.40) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL29514836 0.83 PDPK1 (0.56) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL215054 0.83 PDPK1 (0.56) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL11222102 0.83 PDPK1 (0.63) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL8401394 0.82 PDPK1 (0.38) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL1074970 0.81 POLA1 (0.57) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL3837871 0.80 PDPK1 (0.43) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL8207461 0.80 CDK1 (0.56) PDPK1GDACDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210219546-A1 METHODS OF TREATING CROP PLANTS ALTER DOMUS US LLC 2021-07-22 US disclosed
EP-3294052-A1 METHODS OF TREATING CROP PLANTS Agrofresh, Inc. (US) 2018-03-21 EP disclosed
WO-2016182995-A1 METHODS OF TREATING CROP PLANTS AGROFRESH INC (US) 2016-11-17 WO disclosed
US-20150282479-A1 METHODS OF TREATING CROP PLANTS AGROFRESH, INC. 2015-10-08 US disclosed
US-9055741-B2 Contacting crop plants with compositions ROHM AND HAAS COMPANY (US) 2015-06-16 US disclosed
EP-1856976-B1 Contacting crop plants with compositions ROHM & HAAS (US) 2014-09-03 EP disclosed
EP-2070419-A1 A liquid composition for treating plants Rohm and Haas Company (US) 2009-06-17 EP disclosed
EP-1856976-A2 Contacting crop plants with compositions Rohm and Haas Company (US) 2007-11-21 EP disclosed
US-20070265166-A1 Contacting crop plants with compositions ALTER DOMUS US LLC 2007-11-15 US disclosed
US-20070117720-A1 Compositions with cyclopropenes AGROFRESH, INC. 2007-05-24 US disclosed
EP-1787513-A2 Compositions with cyclopropenes Rohm and Haas Company (US) 2007-05-23 EP disclosed
US-20060160704-A1 Plant growth regulation BASEL RICHARD M 2006-07-20 US disclosed
EP-1680960-A1 Plant growth regulation Rohm and Haas Company (US) 2006-07-19 EP disclosed
WO-1998011121-A1 BIOLOGICALLY ACTIVE PHOSPHOTRIESTER-TYPE COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-03-19 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 (5 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-20070265166-A1 Contacting crop plants with compositions PIN1, MYB, CROCC PDPK1 608/4885GDA 1070/4885CDK1 2297/4885
US-20060160704-A1 Plant growth regulation MYB, SLTM, YAP1 PDPK1 363/4885GDA 1478/4885CDK1 4000/4885
US-20150282479-A1 METHODS OF TREATING CROP PLANTS CYCS, NOP2, CNPY3 PDPK1 1404/4885GDA 1416/4885CDK1 2143/4885
US-20070117720-A1 Compositions with cyclopropenes MYB, OSBP, FAR1 PDPK1 1461/4885GDA 786/4885CDK1 3432/4885
US-20210219546-A1 METHODS OF TREATING CROP PLANTS CYCS, NOP2, CNPY3 PDPK1 1404/4885GDA 1416/4885CDK1 2143/4885

“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.