SCHEMBL2610983

SCHEMBL2610983

Cc1coc2c(N)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.40
CDC7 O00311 8/20 0.38
DBF4 Q9UBU7 7/20 0.38
PLK4 O00444 2/20 0.38
AURKA O14965 2/20 0.38
ROCK2 O75116 2/20 0.38
PIM1 P11309 2/20 0.38
PRKACA P17612 2/20 0.38
RPS6KB1 P23443 2/20 0.38
CDK2 P24941 2/20 0.38
MARK3 P27448 2/20 0.38
FLT4 P35916 2/20 0.38
KDR P35968 2/20 0.38
CSNK1D P48730 2/20 0.38
GSK3A P49840 2/20 0.38
STK3 Q13188 2/20 0.38
ROCK1 Q13464 2/20 0.38
DYRK1A Q13627 2/20 0.38
MARK2 Q7KZI7 2/20 0.38
AURKB Q96GD4 2/20 0.38

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
SCHEMBL264565 0.79 EGFR (0.33) KDR
SCHEMBL264583 0.78 SMN1; SMN2 (0.38) KDM4EALDH1A1
SCHEMBL22601399 0.76 LIMK1 (0.40) LIMK1CDC7DBF4PLK4AURKA
SCHEMBL19402853 0.76 LIMK1 (0.37) LIMK1CDC7DBF4PLK4AURKA
SCHEMBL10120016 0.76 LIMK1 (0.37) LIMK1CDC7DBF4PLK4AURKA
SCHEMBL12559220 0.72 CHRM4 (0.33) KDRKDM4ENPC1ALDH1A1HPGD
SCHEMBL12559509 0.71 CCR1 (0.38) KDM4ENOS3NOS1NOS2
SCHEMBL12596494 0.71 NAPRT (0.37) LIMK1CDC7DBF4PLK4AURKA
SCHEMBL14071986 0.69 CLK1 (0.32) LIMK1CLK1
SCHEMBL12559218 0.68 LIMK1 (0.34) LIMK1CDC7PLK4AURKAROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 US disclosed
US-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2017-09-28 US disclosed
US-9487544-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2016-11-08 US disclosed
US-20160016980-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9090642-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2015-07-28 US disclosed
EP-2805960-A1 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2014-11-26 EP disclosed
EP-2596004-B1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES INC (US) 2014-09-10 EP disclosed
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US 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 (6 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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS LIMK1 3052/4885CDC7 360/4885DBF4 962/4885
US-20160016980-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP LIMK1 4647/4885CDC7 367/4885DBF4 932/4885
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP LIMK1 4647/4885CDC7 367/4885DBF4 932/4885
US-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PNP, PAICS, NUDT1 LIMK1 4595/4885CDC7 656/4885DBF4 923/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP LIMK1 3867/4885CDC7 152/4885DBF4 1112/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC LIMK1 3271/4885CDC7 1935/4885DBF4 3497/4885

“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.