SCHEMBL18878959

SCHEMBL18878959

CNc1snc2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
HSP90AA1 P07900 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRMT5 O14744 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 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
SCHEMBL4069439 0.75 HSP90AA1 (0.43) HSP90AA1NPC1L3MBTL1PRMT5KDM4E
SCHEMBL21139553 0.72 KDM4E (0.39) HSP90AA1NPC1L3MBTL1PRMT5KDM4E
SCHEMBL18879073 0.71 KDM1A (0.42) KDM4ETDP1LMNAMAPTCYP3A4
SCHEMBL23495082 0.71 KDM4E (0.38) HSP90AA1NPC1L3MBTL1PRMT5KDM4E
SCHEMBL4072413 0.71 PRMT5 (0.42) HSP90AA1NPC1L3MBTL1PRMT5KDM4E
SCHEMBL15935231 0.70 HSP90AA1 (0.35) HSP90AA1NPC1L3MBTL1PRMT5KDM4E
SCHEMBL15070855 0.70 HSP90AA1 (0.35) HSP90AA1NPC1L3MBTL1PRMT5KDM4E
SCHEMBL16417612 0.70 POLB (0.36) POLBHSP90AA1NPC1L3MBTL1PRMT5
SCHEMBL15830162 0.70 NPC1 (0.35) HSP90AA1NPC1L3MBTL1KDM4ELMNA
SCHEMBL23514475 0.68 KDM4E (0.46) POLBL3MBTL1KDM4ETDP1MAPT

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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 POLB 1394/4885HSP90AA1 3799/4885NPC1 4242/4885

“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.