SCHEMBL23112103

SCHEMBL23112103

CC1c2ccccc2CCN1c1cnc(-c2ncccn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
DRD1 P21728 2/20 0.36
GRM5 P41594 1/20 0.36
PRCP P42785 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL23112074 0.84 PRCP (0.38) DRD1PRCPTRPM8TSHRCYP1A2
SCHEMBL23112118 0.81 ROCK1 (0.37) AKR1C3DRD1GRM5PRCPTRPM8
Hydrochloric Acid SCHEMBL8805271 0.80 PRCP (0.40) AKR1C3DRD1GRM5PRCPTRPM8
SCHEMBL25163043 0.79 PRCP (0.47) AKR1C3DRD1PRCPTRPM8GAA
SCHEMBL2600445 0.79 PRCP (0.47) AKR1C3DRD1PRCPTRPM8GAA
SCHEMBL23112122 0.78
SCHEMBL28848016 0.74 ALDH1A1 (0.45) AKR1C3DRD1PRCPTRPM8ALDH1A1
SCHEMBL23772053 0.72 KDM4E (0.31) KDM4E
SCHEMBL6408591 0.72 ADRA1A (0.46) DRD1GRM5PRCPTRPM8CYP1A2
SCHEMBL23112193 0.71 CYP1A2 (0.34) DRD1TSHRCYP1A2CHRM2HTR1A

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 4 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 claimed
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 AKR1C3 3772/4885DRD1 2298/4885GRM5 4500/4885

“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.