SCHEMBL4063841

SCHEMBL4063841

Nc1nc(OCc2ccccc2)c2[nH]ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.63
MGMT P16455 6/20 0.63
CDK1 P06493 3/20 0.63
CCNB1 P14635 3/20 0.63
CCNA2 P20248 3/20 0.63
CDK2 P24941 3/20 0.63
CCNA1 P78396 3/20 0.63
CYP3A4 P08684 2/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
CYP2C19 P33261 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
MPO P05164 1/20 0.52
TPO P07202 1/20 0.52
EPX P11678 1/20 0.52

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
SCHEMBL4059711 0.84 MGMT (0.47) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL4001800 0.78 CDC7 (0.60) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL18049872 0.77 PDE5A (0.65) PIN1MGMTCDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL61740 0.77 PIN1 (1.00) PIN1MGMTCDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL31517079 0.77 PIN1 (1.00) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL16852229 0.76 MGMT (0.64) PIN1MGMTCDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL4631744 0.76 PIN1 (0.97) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL3300895 0.74 PIN1 (0.67) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL3259848 0.73 PIN1 (0.65) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL7458810 0.72 PIN1 (0.64) PIN1MGMTCDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101062928-B Process for preparing 2-pyrrolidinyl-1h-pyrrolo[3,2-d]pyrimidine inhibitors of nucleoside metabolism IND RES LTD 2010-10-06 CN disclosed
EP-2077268-A1 Process for preparing inhibitors of nucleoside metabolism Industrial Research Limited (NZ) 2009-07-08 EP disclosed
EP-1165564-B1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM IND RES LTD (NZ) 2009-03-11 EP disclosed
US-7405297-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2008-07-29 US disclosed
CN-101062928-A Process for preparing 2-pyrrolidinyl-1h-pyrrolo[3,2-d]pyrimidine inhibitors of nucleoside metabolism IND RES LTD (NZ) 2007-10-31 CN disclosed
CN-100344630-C 3H, 5H-pyrrolo [3, 2-d ] pyrimidin-4-one derivatives and process for producing the same IND RES LTD (NZ) 2007-10-24 CN disclosed
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-07-12 US disclosed
US-7211677-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2007-05-01 US disclosed
US-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-7022852-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2006-04-04 US disclosed
CN-1727341-A 3H, 5H-pyrrolo [3, 2-d ] pyrimidin-4-one derivatives and process for producing the same IND RES LTD (NZ) 2006-02-01 CN disclosed
CN-1196704-C Process for preparing nucleoside metabolism inhibitor and intermediate compound IND RES LTD (NZ) 2005-04-13 CN disclosed
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2004-09-16 US disclosed
US-6693193-B1 COUPLING AN N- AND O-PROTECTED 2,3-DIHYDROXY-PYRROLIDINE TO THE 2-POSITION AND DEPROTECTING INDUSTRIAL RESEARCH LIMITED (NZ) 2004-02-17 US disclosed
CN-1370171-A Process for preparing nucleoside metabolism inhibitors IND RES LTD (NZ) 2002-09-18 CN 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-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism UGT1A3, AGL, PNP PIN1 2492/4885MGMT 2560/4885CDK1 393/4885
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism XDH, PNP, AGL PIN1 2649/4885MGMT 3473/4885CDK1 306/4885
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism PNP, UGT1A3, AGL PIN1 2011/4885MGMT 2477/4885CDK1 436/4885

“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.