SCHEMBL23745614

SCHEMBL23745614

NC1CCC(NCCC(c2cccnc2)c2cn(C3CCCCC3)c3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 8/20 0.44
SOS1 Q07889 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AGTR2 P50052 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
GAA P10253 1/20 0.33
SLC1A2 P43004 1/20 0.33

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
Hydrochloric Acid SCHEMBL23722090 0.99 MPO (0.43) MPOSOS1KDM4EAGTR2MEN1
SCHEMBL23745507 0.90 SOS1 (0.38) MPOSOS1KDM4EMEN1KMT2A
SCHEMBL23745516 0.90 SOS1 (0.50) MPOSOS1KDM4EAGTR2ALDH1A1
Hydrochloric Acid SCHEMBL23721890 0.89 SOS1 (0.37) MPOSOS1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL23721891 0.89 SOS1 (0.37) MPOSOS1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL23722063 0.89 SOS1 (0.49) MPOSOS1KDM4EAGTR2ALDH1A1
SCHEMBL23745599 0.86 MPO (0.43) MPOSOS1AGTR2F2PRSS1
Hydrochloric Acid SCHEMBL23722095 0.85 MPO (0.42) MPOSOS1KDM4EAGTR2ALDH1A1
SCHEMBL23745472 0.84 MPO (0.36) MPOSOS1KDM4EMEN1KMT2A
SCHEMBL23745631 0.84 MPO (0.36) MPOSOS1KDM4EMEN1KMT2A

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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 MPO 17/4885SOS1 2902/4885KDM4E 4474/4885

“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.