SCHEMBL2182838

SCHEMBL2182838

CNCCNc1nnc2c(n1)c(=O)n(C)c(=O)n2-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.38
POLB P06746 1/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
TSHR P16473 4/20 0.35
MEN1 O00255 3/20 0.35
USP2 O75604 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
KMT2A Q03164 3/20 0.35
HIF1A Q16665 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
ALOX15 P16050 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
CYP2D6 P10635 2/20 0.34

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
SCHEMBL2183481 0.94 DCTPP1 (0.37) DCTPP1POLBTP53LMNASMN1; SMN2
SCHEMBL2182078 0.89 DCTPP1 (0.37) DCTPP1POLBTP53LMNASMN1; SMN2
SCHEMBL2181445 0.89 DCTPP1 (0.38) DCTPP1POLBTP53LMNASMN1; SMN2
SCHEMBL2182969 0.88 PCSK9 (0.41) DCTPP1POLBTP53LMNASMN1; SMN2
SCHEMBL2182806 0.87 ALDH1A1 (0.42) DCTPP1POLBTP53LMNASMN1; SMN2
SCHEMBL2184364 0.86 ALDH1A1 (0.38) DCTPP1POLBTP53LMNASMN1; SMN2
SCHEMBL2183045 0.85 RAD52 (0.43) DCTPP1POLBSMN1; SMN2TSHRALDH1A1
SCHEMBL2182082 0.85 ALDH1A1 (0.40) DCTPP1POLBTP53LMNASMN1; SMN2
SCHEMBL2184873 0.85 MAPK8 (0.40) DCTPP1LMNASMN1; SMN2HTTTSHR
SCHEMBL2182055 0.85 SIGMAR1 (0.46) DCTPP1TSHRMEN1ALDH1A1KMT2A

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 DCTPP1 3105/4885POLB 254/4885TP53 668/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR DCTPP1 49/4885POLB 312/4885TP53 64/4885

“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.