SCHEMBL24095443

SCHEMBL24095443

Clc1cc(Oc2c3c(nn2C2CCOCC2)CCCC3)ccn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 15/20 0.37
▸ PSEN1 P49768 3/20 0.35
▸ PSEN2 P49810 3/20 0.35
▸ APH1B Q8WW43 3/20 0.35
▸ NCSTN Q92542 3/20 0.35
▸ APH1A Q96BI3 3/20 0.35
▸ PSENEN Q9NZ42 3/20 0.35
▸ PDE4D Q08499 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1E P49674 1/20 0.32

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
SCHEMBL24095511 0.98 TGFBR1 (0.37) TGFBR1PSEN1PSEN2APH1BNCSTN
SCHEMBL24298651 0.87 TGFBR1 (0.39) TGFBR1PSEN1PSEN2APH1BNCSTN
SCHEMBL24299179 0.85 TGFBR1 (0.39) TGFBR1PSEN1PSEN2APH1BNCSTN
SCHEMBL24095432 0.84 PSEN1 (0.35) TGFBR1PSEN1PSEN2APH1BNCSTN
SCHEMBL24095393 0.81 TGFBR1 (0.48) TGFBR1
SCHEMBL24095395 0.79 TGFBR1 (0.48) TGFBR1
SCHEMBL24095512 0.79 TGFBR1 (0.42) TGFBR1PDE4DCSNK1A1CSNK1DCSNK1E
SCHEMBL24095470 0.73 TGFBR1 (0.59) TGFBR1PDE4D
SCHEMBL24095510 0.73 TGFBR1 (0.59) TGFBR1
SCHEMBL24095460 0.72 TGFBR1 (0.52) TGFBR1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098171-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-ßR1 KINASE INHIBITOR JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2022-03-31 — — US disclosed
EP-3922631-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-BETA R1 KINASE INHIBITOR Jiangsu AoSaiKang Pharmaceutical Co., Ltd. (CN) 2021-12-15 — — 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-20220098171-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-ßR1 KINASE INHIBITOR TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885PSEN1 1927/4885PSEN2 2059/4885

“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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