SCHEMBL2557634

SCHEMBL2557634

CONc1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc2c1ncn2[C@H](Oc1cccc(C(c2ccccc2)c2ccccc2)c1)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.35
CDK5 Q00535 7/20 0.34
CCNB1 P14635 4/20 0.33
CDK2 P24941 5/20 0.32
CDK7 P50613 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
MAPK1 P28482 2/20 0.32
CCNH P51946 2/20 0.32
CDK9 P50750 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CCNE2 O96020 1/20 0.31

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
SCHEMBL16105077 1.00 CDK1 (0.35) CDK1CDK5CCNB1CDK2CDK7
SCHEMBL14659054 0.78 P2RY1 (0.31)
SCHEMBL5083038 0.74 CDK1 (0.41) CDK1CDK5CCNB1CDK2CCNE1
SCHEMBL5083699 0.72 CDK1 (0.41) CDK1CDK5CCNB1CDK2CDK7
SCHEMBL2556773 0.68 PDE4A (0.37) CDK1CDK5CCNB1CDK2CCNE1
SCHEMBL5080055 0.67 CDK1 (0.35) CDK1CDK2CCNE1CCNE2
SCHEMBL5080066 0.67 CDK1 (0.37) CDK1CDK5CCNB1CDK2CCNE1
SCHEMBL5083036 0.66 CDK1 (0.34) CDK1CDK2CCNE1CCNE2
SCHEMBL5082395 0.65 CDK1 (0.35) CDK1CDK5CCNB1CDK2CDK7
SCHEMBL5083016 0.64 CDK5 (0.33) CDK1CDK5CCNB1CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-06 US disclosed
US-9475832-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-25 US disclosed
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2015-03-19 US disclosed
US-8846643-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-30 US disclosed
EP-2558466-A2 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS The Regents of the University of California (US) 2013-02-20 EP disclosed
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-31 US disclosed
WO-2011130557-A2 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-20 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-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CDK1 1270/4885CDK5 1143/4885CCNB1 2227/4885
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CDK1 1270/4885CDK5 1143/4885CCNB1 2227/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CDK1 1270/4885CDK5 1143/4885CCNB1 2227/4885

“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.