SCHEMBL19601322

SCHEMBL19601322

Cn1c(=O)n(Cc2ccc(C(C)(C)O)nc2)c(=O)c2c1ncn2CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 4/20 0.41
MAPK1 P28482 2/20 0.41
TRPA1 O75762 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADORA2B P29275 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 2/20 0.39
UBE2N P61088 1/20 0.39
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
ACHE P22303 1/20 0.38
PDE4A P27815 1/20 0.38
BLM P54132 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
SCHEMBL17682175 0.91 KMT2A (0.42) KMT2AABCC8KCNJ11POLBHIF1A
SCHEMBL18819561 0.88 KMT2A (0.41) KMT2AABCC8KCNJ11POLBHIF1A
SCHEMBL29429680 0.85 KMT2A (0.47) KMT2AABCC8KCNJ11POLBHIF1A
SCHEMBL17682179 0.85 KMT2A (0.47) KMT2AABCC8KCNJ11POLBHIF1A
SCHEMBL19601321 0.84 MAPK1 (0.55) KMT2ALMNAMAPK1SMN1; SMN2ADORA2B
SCHEMBL19601325 0.81 KMT2A (0.45) KMT2AABCC8KCNJ11POLBHIF1A
SCHEMBL18819720 0.78 TRPA1 (0.42) KMT2APOLBHIF1ATRPA1RXFP1
SCHEMBL17682183 0.76 TRPA1 (0.42) KMT2AABCC8KCNJ11POLBHIF1A
SCHEMBL7029350 0.76 LMNA (0.51) KMT2APOLBHIF1ALMNAMAPK1
SCHEMBL17682213 0.76 KMT2A (0.46) KMT2AABCC8KCNJ11POLBHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 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 (1 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A KMT2A 3904/4885ABCC8 887/4885KCNJ11 3006/4885

“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.