SCHEMBL23112147

SCHEMBL23112147

COc1cc(CCC#N)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TAAR1 Q96RJ0 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
POLB P06746 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.39

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
SCHEMBL5446248 0.84 ATM (0.59) MEN1KMT2AATMKDM4ECYP1A2
SCHEMBL622290 0.83 CA2 (0.41) ATMKDM4ETAAR1TSHRMAPK1
SCHEMBL30641472 0.83 CA2 (0.41) ATMKDM4ETAAR1TSHRMAPK1
SCHEMBL12715638 0.80 ALDH1A1 (0.61) MEN1KMT2AATMKDM4ETAAR1
SCHEMBL12978347 0.80 MEN1 (0.47) MEN1KMT2AATMKDM4ETAAR1
SCHEMBL8145667 0.79 ATM (0.52) ATMKDM4ETAAR1TSHRMAPK1
SCHEMBL1237469 0.79 KDM4E (0.72) MEN1KMT2AATMKDM4ETAAR1
SCHEMBL4715187 0.78 MEN1 (0.57) MEN1KMT2A
SCHEMBL4247817 0.78 KMT2A (0.48) MEN1KMT2AATMKDM4ETSHR
Hydrochloric Acid SCHEMBL5353436 0.77 KDM4E (0.70) MEN1KMT2AATMKDM4ETAAR1

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 MEN1 3587/4885KMT2A 1061/4885ATM 4076/4885

“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.