SCHEMBL4364347

SCHEMBL4364347

CCOC(C)c1nc(N)c2[nH]cnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.49
CCNB1 P14635 14/20 0.49
CCNA2 P20248 12/20 0.49
CDK2 P24941 12/20 0.49
CCNA1 P78396 12/20 0.49
PDPK1 O15530 1/20 0.49
GDA Q9Y2T3 1/20 0.49
PIN1 Q13526 2/20 0.42
POLA1 P09884 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
DRD3 P35462 1/20 0.39
PI4KA P42356 1/20 0.39
XDH P47989 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MGMT P16455 1/20 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
SCHEMBL28195886 0.84 PDPK1 (0.47) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8672892 0.84 PDPK1 (0.44) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7165321 0.84 PDPK1 (0.53) CDK1CCNB1CCNA2CDK2CCNA1
Water SCHEMBL28104850 0.83 PDPK1 (0.46) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4241363 0.82 PDPK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL542009 0.80 PDPK1 (0.59) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5509118 0.77 PDPK1 (0.56) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29721618 0.77 PDPK1 (0.56) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4364337 0.77 CDK1 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL28004538 0.76 PDPK1 (0.54) CDK1CCNB1CCNA2CDK2CCNA1

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 CDK1 2297/4885CCNB1 1409/4885CCNA2 1917/4885
US-20060160704-A1 Plant growth regulation MYB, SLTM, YAP1 CDK1 4000/4885CCNB1 2236/4885CCNA2 2303/4885
US-20150282479-A1 METHODS OF TREATING CROP PLANTS CYCS, NOP2, CNPY3 CDK1 2143/4885CCNB1 1190/4885CCNA2 2916/4885
US-20070117720-A1 Compositions with cyclopropenes MYB, OSBP, FAR1 CDK1 3432/4885CCNB1 571/4885CCNA2 416/4885
US-20210219546-A1 METHODS OF TREATING CROP PLANTS CYCS, NOP2, CNPY3 CDK1 2143/4885CCNB1 1190/4885CCNA2 2916/4885

“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.