SCHEMBL27047697

SCHEMBL27047697

C/N=C(\C)c1cncc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.52
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 2/20 0.32
MYC P01106 1/20 0.32
ABL1 P00519 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL27047722 1.00 HCAR2 (0.52) HCAR2CYP11B2CYP11B1MYCABL1
SCHEMBL14395820 0.84 HCAR2 (0.52) HCAR2CYP11B2CYP11B1MYCABL1
SCHEMBL2722765 0.75 HCAR2 (0.67) HCAR2CYP11B2CYP11B1MYCKDM4E
SCHEMBL15047255 0.75 HCAR2 (0.55) HCAR2CYP11B2CYP11B1MYCABL1
SCHEMBL25640332 0.74 HCAR2 (0.42) HCAR2MYCSCN10A
SCHEMBL27044477 0.74 HCAR2 (0.42) HCAR2MYCSCN10A
SCHEMBL25643185 0.73 HCAR2 (0.41) HCAR2
SCHEMBL25642601 0.72 HCAR2 (0.42) HCAR2
SCHEMBL25455385 0.71 HCAR2 (0.39) HCAR2ABL1
SCHEMBL19249759 0.71 HCAR2 (0.50) HCAR2MYCMKNK1MKNK2

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-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 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-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 HCAR2 675/4885CYP11B2 1067/4885CYP11B1 2231/4885

“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.