SCHEMBL25110227

SCHEMBL25110227

CNc1cc(C(F)(F)F)nc2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 4/20 0.49
▸ TLR7 Q9NYK1 1/20 0.45
▸ CDK8 P49336 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ ACVR1 Q04771 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ TERT O14746 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ADRB2 P07550 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ IGF1R P08069 1/20 0.37

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
SCHEMBL25110983 0.84 ADRB2 (0.52) NT5ETLR7CDK8ACVR1CLK4
SCHEMBL25110204 0.83 NT5E (0.48) NT5ETLR7CDK8CLK2ACVR1
SCHEMBL25110127 0.81 TLR7 (0.65) TLR7MEN1KMT2AMAPTALDH1A1
SCHEMBL24003950 0.79 TERT (0.57) TERTMEN1KMT2AALDH1A1HPGD
SCHEMBL1536339 0.77 NT5E (0.70) NT5ECDK8CLK2ACVR1CLK4
SCHEMBL26400500 0.76 KDM4E (0.46) NT5ETLR7MAPTALDH1A1HPGD
SCHEMBL3823152 0.76 NT5E (0.49) NT5EKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4420000 0.76 NT5E (0.49) NT5ECDK8CLK2ACVR1CLK4
SCHEMBL26398687 0.74 GSK3A (0.41) TLR7ACVR1CLK4TERT
SCHEMBL19148211 0.73 NT5E (0.47) NT5ETLR7CDK8CLK2ACVR1

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
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 — — WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 — — WO disclosed
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 — — 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-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 NT5E 4611/4885TLR7 2557/4885CDK8 3833/4885

“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.

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