SCHEMBL3338311

SCHEMBL3338311

Nc1nc(N)c(N)c(OCc2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 9/20 0.68
CDK1 P06493 2/20 0.68
CCNB1 P14635 2/20 0.68
CCNA2 P20248 2/20 0.68
CDK2 P24941 2/20 0.68
CCNA1 P78396 2/20 0.68
CYP3A4 P08684 2/20 0.56
MPO P05164 1/20 0.56
TPO P07202 1/20 0.56
EPX P11678 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
PIN1 Q13526 1/20 0.56

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
SCHEMBL16852229 0.91 MGMT (0.64) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL6358672 0.85 MGMT (0.66) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL16828164 0.83 MGMT (0.56) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL16828160 0.83 MGMT (0.56) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL7983396 0.83 CDK1 (0.58) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL2054835 0.81 MGMT (1.00) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL16828192 0.81 MGMT (0.54) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL6362726 0.80 MGMT (0.63) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL6362719 0.80 MGMT (0.63) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL16828180 0.80 MGMT (0.52) MGMTCDK1CCNB1CCNA2CDK2

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 158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364408-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 US claimed
EP-2906191-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES Henkel AG&Co. KGAA (DE) 2015-08-19 EP claimed
US-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 US claimed
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-10-02 US claimed
US-8791081-B2 MGMT inhibitor combination for the treatment of neoplastic disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 US claimed
WO-2014056760-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2014-04-17 WO claimed
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS LIU LILI 2010-04-15 US claimed
CN-101380297-A Compound platinum medicine sustained-release agent JINAN SHUAIHUA PHARMACEUTICAL (CN) 2009-03-11 CN claimed
WO-2008109417-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2008-09-12 WO claimed
CN-101254170-A An anticancer sustained release injection carrying clorfarabine and its synergist JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-09-03 CN claimed
CN-1861047-A Slow-releasing injection contg. vasoinhibitor and potentiator type anticarcinogen SHUAIHUA MEDICINE SCIENCE AND (CN) 2006-11-15 CN claimed
CN-1861049-A Anticancer drug sustained-release injection containing gemcitabine LANJIN BIOENGINEERING CO LTD S (CN) 2006-11-15 CN claimed
CN-1861050-A Anticancer drug sustained-release injection loaded with platinum compound and synergist thereof LANJIN BIOENGINEERING CO LTD S (CN) 2006-11-15 CN claimed
CN-1850039-A Compound platinum medicine slow-release agent SHUAIHUA MEDICINE SCIENCE TECH (CN) 2006-10-25 CN claimed
CN-1846679-A Sustained-release injection containing methotrexate and synergist thereof JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1846673-A Slow-released anticancer medicine prepn containing pyrimidine medicine JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1846676-A Sustained-release injection containing fluorouracil synergist and preparation method thereof JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1846687-A Slow-release agent containing taxane and synergist thereof JINAN KANGQUAN MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1733300-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1628853-A Anti-cancer medicine composition KONG QINGZHONG (CN) 2005-06-22 CN claimed

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-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG MGMT 1/4885CDK1 566/4885CCNB1 569/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG MGMT 1/4885CDK1 566/4885CCNB1 531/4885
US-20150209258-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES KRT18, DPYD, DHFR MGMT 77/4885CDK1 507/4885CCNB1 239/4885

“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.