SCHEMBL21207698

SCHEMBL21207698

CCCNC(=O)c1ccc(C2CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.44
MAPK14 Q16539 3/20 0.44
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
NAMPT P43490 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.41
HCAR3 P49019 1/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 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
SCHEMBL17663686 0.88 IDO1 (0.44) IDO1KDM4EKMT2AMAPK14L3MBTL1
SCHEMBL17660282 0.82 MAPK14 (0.52) IDO1KDM4EKMT2AMAPK14NAMPT
SCHEMBL30016454 0.80 HDAC2 (0.46) KDM4EKMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL17664670 0.80 BAZ2B (0.54) NPC1MAPTTSHRRAB9ASMN1; SMN2
SCHEMBL27117782 0.77 KDM4E (0.51) KDM4EKMT2ACHRNA10CHRNA9NAMPT
SCHEMBL5423478 0.77 KDM4E (0.72) IDO1KDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL17660247 0.77 JAK2 (0.49) ALDH1A1
SCHEMBL12388320 0.76 KDM4E (0.50) KDM4EKMT2ACHRNA10CHRNA9NAMPT
SCHEMBL3407381 0.76 RAB9A (0.65) KDM4EKMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL29317443 0.75 HSD17B3 (0.49) IDO1KMT2AL3MBTL1NPC1

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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN IDO1 738/4885KDM4E 1104/4885KMT2A 1064/4885

“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.