SCHEMBL6793663

SCHEMBL6793663

CNC(=O)c1[nH]nc2c1CCc1cnccc1-2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
RAB9A P51151 3/20 0.63
ATM Q13315 1/20 0.63
KDM4E B2RXH2 3/20 0.46
ALPL P05186 1/20 0.46
CLK1 P49759 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 5/20 0.42
POLB P06746 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6787408 0.84 MEN1 (0.58) NPC1MEN1KMT2ARAB9AATM
SCHEMBL6791738 0.83 MEN1 (0.51) NPC1MEN1KMT2ARAB9AATM
SCHEMBL6797114 0.83 CCNA2 (0.58) NPC1MEN1KMT2ARAB9AATM
SCHEMBL6799055 0.81 MEN1 (0.49) NPC1MEN1KMT2ARAB9AATM
SCHEMBL6793938 0.80 MEN1 (0.73) NPC1MEN1KMT2ARAB9AATM
Hydrochloric Acid SCHEMBL6797805 0.80 NPC1 (0.48) NPC1MEN1KMT2ARAB9AATM
SCHEMBL6794908 0.80 AURKA (0.54) NPC1MEN1KMT2ARAB9AATM
SCHEMBL6792954 0.74 NPC1 (0.44) NPC1MEN1KMT2ARAB9AATM
SCHEMBL6800060 0.72 AURKA (0.46) NPC1MEN1KMT2ARAB9AATM
SCHEMBL6793634 0.72 CHRNB2 (0.36) NPC1MEN1KMT2ARAB9AATM

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 NPC1 4242/4885MEN1 1382/4885KMT2A 1257/4885

“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.