SCHEMBL2181386

SCHEMBL2181386

Cn1c(=O)c2nc(NCCCN3CCCCC3)nnc2n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HTR2A P28223 3/20 0.43
HTR1A P08908 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
PKM P14618 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
PIM1 P11309 1/20 0.39
SRC P12931 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 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
SCHEMBL2180216 0.93 LMNA (0.44) POLBLMNAGAATSHRMAPK1
SCHEMBL2179252 0.91 SRC (0.47) POLBHTR2AHTR1AGAAMAPK1
SCHEMBL2183251 0.88 POLB (0.47) POLBHTR2AHTR1AMAPK1SRC
SCHEMBL2182971 0.86 POLB (0.39) POLBHTR2AHTR1AMEN1KMT2A
SCHEMBL2180487 0.83 SRC (0.41) POLBHTR2AHTR1ALMNAGAA
SCHEMBL2181259 0.83 SIGMAR1 (0.41) POLBHTR2AHTR1ATSHRMEN1
SCHEMBL2182767 0.82 POLB (0.43) POLBHTR2AHTR1ALMNAGAA
SCHEMBL2181116 0.81 CYP2C19 (0.43) POLBLMNAGAATSHRMAPK1
SCHEMBL2181496 0.81 CYP2C19 (0.40) POLBLMNAGAATSHRMAPK1
SCHEMBL2180599 0.81 CA1 (0.42) POLBHTR2AHTR1ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US 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

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 POLB 254/4885HTR2A 2864/4885HTR1A 2622/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR POLB 312/4885HTR2A 3556/4885HTR1A 4329/4885

“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.