SCHEMBL29512947

SCHEMBL29512947

Nc1nccnc1N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
GAA P10253 1/20 0.58
NEK2 P51955 1/20 0.51
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.44
LRRK2 Q5S007 2/20 0.44
JAK3 P52333 1/20 0.42
CTSK P43235 2/20 0.41
PTK2 Q05397 1/20 0.41
LMNA P02545 1/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CD O00329 3/20 0.41
PIK3CB P42338 1/20 0.41
PIK3R1 P27986 2/20 0.40
MTOR P42345 2/20 0.40
CHEK1 O14757 1/20 0.40
PDPK1 O15530 1/20 0.40
MAPK1 P28482 1/20 0.40
PAK1 Q13153 1/20 0.40

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
SCHEMBL2452548 1.00 KDM4E (0.58) KDM4EGAANEK2CYP1A2CYP2C9
SCHEMBL19222134 0.79 NEK2 (0.54) KDM4EGAANEK2CYP1A2CYP2C9
SCHEMBL11361294 0.79 NEK2 (0.54) KDM4EGAANEK2CYP1A2CYP2C9
SCHEMBL15473883 0.76 LRRK2 (0.51) KDM4EGAACYP1A2CYP2C9POLB
SCHEMBL11142308 0.76 KDM4E (0.46) KDM4EGAACYP1A2CYP2C9POLB
SCHEMBL30592058 0.76 NEK2 (0.51) KDM4ENEK2ALDH1A1
SCHEMBL4987330 0.76 NEK2 (0.51) KDM4ENEK2ALDH1A1
SCHEMBL18414311 0.76 SMN1; SMN2 (0.43) KDM4EGAAPOLBLRRK2LMNA
SCHEMBL17583342 0.76 KDM4E (0.57) KDM4EGAACYP1A2CYP2C9POLB
SCHEMBL29445436 0.76 CYP1A2 (0.56) KDM4EGAACYP1A2CYP2C9POLB

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-20240374590-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER COILED THERAPEUTICS, INC. 2024-11-14 US disclosed
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN 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-20240374590-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NTPCR, PTPRC, NFATC1 KDM4E 4462/4885GAA 81/4885NEK2 956/4885

“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.