SCHEMBL25110204

SCHEMBL25110204

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.48
▸ IGF1R P08069 4/20 0.47
▸ TLR7 Q9NYK1 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL26407173 0.84 NT5E (0.47) NT5EIGF1RTLR7MAPTGAA
SCHEMBL25110983 0.83 ADRB2 (0.52) NT5ETLR7MAPTCDK8ACVR1
SCHEMBL25110227 0.83 NT5E (0.49) NT5EIGF1RTLR7MAPTCDK8
SCHEMBL2709700 0.80 NT5E (0.70) NT5EIGF1RMAPTGAANPSR1
SCHEMBL30492143 0.80 NT5E (0.70) NT5EIGF1RMAPTGAANPSR1
SCHEMBL25110127 0.80 TLR7 (0.65) IGF1RTLR7MAPTGAANPSR1
SCHEMBL26396748 0.77 KMT5B (0.48) NT5EIGF1RTLR7DAPK3ABL1
SCHEMBL31447677 0.77 KMT5B (0.48) NT5EIGF1RTLR7DAPK3ABL1
SCHEMBL11828378 0.76 NT5E (0.51) NT5EIGF1RMAPTGAANPSR1
SCHEMBL11837049 0.76 NT5E (0.51) NT5EIGF1RMAPTGAANPSR1

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 4611/4885IGF1R 1097/4885TLR7 2557/4885

“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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