SCHEMBL23535541

SCHEMBL23535541

O=C(NCCc1cnc[nH]1)c1ccc(-c2ncc3cnc(-c4cccc(F)c4)cn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.50
CYP3A4 P08684 2/20 0.48
KMT2A Q03164 2/20 0.46
MYC P01106 1/20 0.45
FYN P06241 4/20 0.42
MAPK14 Q16539 1/20 0.41
GSK3B P49841 1/20 0.41
BRD4 O60885 1/20 0.41
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
MEN1 O00255 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL30014583 1.00 NAMPT (0.50) NAMPTCYP3A4KMT2AMYCFYN
SCHEMBL23535506 0.90 CYP3A4 (0.59) NAMPTCYP3A4KMT2AMYCFYN
SCHEMBL23535518 0.84 FYN (0.45) FYN
SCHEMBL23535523 0.84 FYN (0.49) FYN
SCHEMBL23535507 0.84 FYN (0.48) FYN
SCHEMBL23535535 0.83 HPGD (0.47) FYN
SCHEMBL23535526 0.79 POLB (0.55) NAMPTKMT2AMEN1
SCHEMBL30014341 0.79 POLB (0.55) NAMPTKMT2AMEN1
SCHEMBL23547226 0.78 FYN (0.43) FYN
SCHEMBL23535536 0.77 HPGDS (0.49) KMT2AFYNMAPK14MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056497-A1 CD206 Modulators Their Use and Methods for Preparation US HEALTH (US) 2023-02-23 US disclosed
WO-2021126923-A1 CD206 MODULATORS THEIR USE AND METHODS FOR PREPARATION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 WO disclosed
WO-2021126923-A1 CD206 MODULATORS THEIR USE AND METHODS FOR PREPARATION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 WO 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-20230056497-A1 CD206 Modulators Their Use and Methods for Preparation CD209, MSR1, ARG1 NAMPT 2002/4885CYP3A4 1486/4885KMT2A 3615/4885

“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.