SCHEMBL22688258

SCHEMBL22688258

Fc1ccc(Nc2cc3cn[nH]c3cc2C#CC2CCCOCSC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.36
HTR2A P28223 6/20 0.34
KDR P35968 1/20 0.34
HTR2C P28335 4/20 0.34
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 2/20 0.34
CCR2 P41597 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SYK P43405 2/20 0.32

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
SCHEMBL22655827 0.89 CDC7 (0.39) CDC7HTR2AKDRHTR2CROCK2
SCHEMBL21900948 0.85 CDC7 (0.41) CDC7HTR2AKDRHTR2CROCK2
SCHEMBL29536029 0.85 CDC7 (0.41) CDC7HTR2AKDRHTR2CROCK2
SCHEMBL23887959 0.80 MAOB (0.36) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL30176928 0.80 MAOB (0.36) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL21901866 0.80 CDC7 (0.40) CDC7HTR2AKDRHTR2CROCK2
SCHEMBL29536009 0.76 MAOB (0.39) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL22688255 0.76 MAOB (0.39) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL26321523 0.76 ALDH1A1 (0.38) CDC7ROCK2ROCK1CCR2KDM4E
SCHEMBL21900955 0.74 PDGFRB (0.36) ROCK2ROCK1SYK

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-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 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-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 CDC7 3618/4885HTR2A 3839/4885KDR 4851/4885

“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.