SCHEMBL23745507

SCHEMBL23745507

N[C@H]1CC[C@H](NCCC(c2ccncc2)c2cn(C3CCCCC3)c3ccccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.38
MPO P05164 8/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK2 P24941 3/20 0.33
CCNB2 O95067 2/20 0.33
CCNE2 O96020 2/20 0.33
CDK1 P06493 2/20 0.33
CDK4 P11802 2/20 0.33
CCNB1 P14635 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
FLT3 P36888 2/20 0.33
IDO1 P14902 1/20 0.32
SLC2A1 P11166 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 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
Hydrochloric Acid SCHEMBL23721891 0.99 SOS1 (0.37) SOS1MPOKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL23721890 0.99 SOS1 (0.37) SOS1MPOKDM4EMEN1KMT2A
SCHEMBL23745614 0.90 MPO (0.44) SOS1MPOKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL23722090 0.89 MPO (0.43) SOS1MPOKDM4EMEN1KMT2A
SCHEMBL23745841 0.89 SOS1 (0.53) SOS1MPOKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL23722111 0.88 SOS1 (0.52) SOS1MPOKDM4EMEN1KMT2A
SCHEMBL23745631 0.85 MPO (0.36) SOS1MPOKDM4EMEN1KMT2A
SCHEMBL23745472 0.85 MPO (0.36) SOS1MPOKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL23722007 0.84 MPO (0.36) SOS1MPOKDM4EMEN1KMT2A
SCHEMBL23745639 0.82 MEN1 (0.39) SOS1KDM4EMEN1KMT2ACDK2

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 SOS1 2902/4885MPO 17/4885KDM4E 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.