SCHEMBL2183172

SCHEMBL2183172

CN(C)CCNCCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TDP1 Q9NUW8 1/20 0.54
PAOX Q6QHF9 1/20 0.48
MAPT P10636 1/20 0.46
KDM4E B2RXH2 4/20 0.42
PRMT3 O60678 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DPP7 Q9UHL4 2/20 0.39
ANPEP P15144 1/20 0.38
KDM1A O60341 1/20 0.38
CA1 P00915 2/20 0.37

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
SCHEMBL17432997 0.93 CYP2C19 (0.56) CYP2C9CYP2C19TDP1PAOXMAPT
SCHEMBL11441671 0.92 TDP1 (0.62) CYP2C9CYP2C19TDP1PAOXMAPT
SCHEMBL28858881 0.88 TDP1 (0.58) CYP2C9CYP2C19TDP1PAOXMAPT
SCHEMBL6141860 0.87 TDP1 (0.68) CYP2C9CYP2C19TDP1PAOXMAPT
SCHEMBL863534 0.84
SCHEMBL8741137 0.84 CYP2C19 (0.70) CYP2C9CYP2C19TDP1PAOXKDM4E
SCHEMBL18576487 0.82 CYP2C9 (0.50) CYP2C9CYP2C19TDP1PAOXMAPT
SCHEMBL4083020 0.82 CYP2C9 (0.54) CYP2C9CYP2C19TDP1PAOXMAPT
SCHEMBL141928 0.82 TDP1 (0.62) CYP2C9CYP2C19TDP1PAOXMAPT
SCHEMBL18576489 0.81 CYP2C19 (0.54) CYP2C9CYP2C19TDP1PAOXMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
CN-100364493-B9 Water absorbing agent and preparation method thereof, absorber and absorbent commodity using the water absorbing agent SDP GLOBAL Co.,Ltd. (JP) 2019-11-08 CN disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO disclosed
CN-100364493-C Water absorbing agent, process for its production, and absorbers and absorbent articles made by using the agent SAN DIA POLYMERS LTD (JP) 2008-01-30 CN disclosed
CN-1589304-A Water-absorbing agent, method for producing same, and absorbent article using same SAN DIA POLYMERS LTD (JP) 2005-03-02 CN disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 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 (2 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 CYP2C9 4129/4885CYP2C19 3722/4885TDP1 3665/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR CYP2C9 834/4885CYP2C19 381/4885TDP1 941/4885

“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.