SCHEMBL23112136

SCHEMBL23112136

COc1cc(CCCN)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ATM Q13315 1/20 0.58
TAAR1 Q96RJ0 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49

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 SCHEMBL5362235 0.98 KDM4E (0.56) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL1237469 0.89 KDM4E (0.72) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL5353436 0.87 KDM4E (0.70) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL19236881 0.86 PPARG (0.51) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL2468726 0.85 ATM (0.79) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL4159177 0.84 TNKS2 (0.56) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL943423 0.83 KDM4E (0.53) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL20231446 0.83 TNKS2 (0.50) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL17335717 0.82 KDM4E (0.50) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL19248448 0.82 KDM4E (0.58) KDM4EATMTAAR1TSHRMAPK1

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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
EP-3793550-A2 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-03-24 EP 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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS KDM4E 1113/4885ATM 4076/4885TAAR1 4745/4885

“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.