SCHEMBL25824557

SCHEMBL25824557

CC(C)(C)Cc1ccc(Br)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SOAT1 P35610 1/20 0.34
KDM1A O60341 3/20 0.34
KCNH2 Q12809 2/20 0.34
KDM1B Q8NB78 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
RIPK1 Q13546 1/20 0.31
SLC6A4 P31645 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
HCRTR2 O43614 1/20 0.30
PTPRB P23467 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL18491445 0.85 CYP1A2 (0.39) ESR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29975424 0.85 CYP1A2 (0.39) ESR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13905164 0.84 CYP1A2 (0.47) ESR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29301799 0.83 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL18097710 0.82 KDM1A (0.35) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL14849111 0.81 ESR1 (0.46) ESR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL73649 0.81 ESR1 (0.46) ESR1SOAT1KDM1ATHRATHRB
SCHEMBL22527739 0.79 TLR7 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL29392732 0.79 TLR7 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL6966203 0.78 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 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 (4 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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ESR1 2380/4885CYP1A2 398/4885CYP2D6 55/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF ESR1 4208/4885CYP1A2 1906/4885CYP2D6 462/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 ESR1 3445/4885CYP1A2 2573/4885CYP2D6 2841/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 ESR1 1245/4885CYP1A2 1307/4885CYP2D6 1571/4885

“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.