SCHEMBL23366147

SCHEMBL23366147

CCNC(=O)c1cnc2cn(BS)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 7/20 0.45
▸ MAPK14 Q16539 3/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL8004661 0.72 HPGDS (0.53) HPGDSMAPK14TP53CDK8BRD4
SCHEMBL8001356 0.65 HPGDS (0.70) HPGDSHDAC3HDAC1HDAC2
SCHEMBL2960085 0.64 ALDH1A1 (0.57) HPGDSALDH1A1HPGDSMN1; SMN2
SCHEMBL12670576 0.64 HPGDS (0.48) HPGDSTP53CDK8BRD4HDAC3
SCHEMBL17077544 0.63 HPGDS (0.46) HPGDSHPGDCDK8BRD4DGAT2
SCHEMBL9979308 0.62 SMN1; SMN2 (0.48) HPGDSALDH1A1HPGDBRD4SMN1; SMN2
SCHEMBL21604631 0.62 HPGD (0.35) HPGDSALDH1A1HPGDMAP4K4
SCHEMBL12670572 0.62 HPGDS (0.46) HPGDSTP53CSNK1DCDK8HDAC3
SCHEMBL13614180 0.61 MEN1 (0.66) TP53ALDH1A1HPGDHDAC3HDAC1
SCHEMBL18897476 0.60 HPGDS (0.41) HPGDSALDH1A1CYP1A2CYP2C9HPGD

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-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 — — 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-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA HPGDS 380/4885MAPK14 1883/4885TP53 4309/4885

“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.

Send feedback