SCHEMBL25510769

SCHEMBL25510769

C=C(C)[C@H]1C[C@H](F)CN1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PEPD P12955 1/20 0.39
XPNPEP1 Q9NQW7 1/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
PIN1 Q13526 1/20 0.36
DPP4 P27487 11/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
DPP8 Q6V1X1 4/20 0.34
DPP7 Q9UHL4 3/20 0.34
DPP9 Q86TI2 1/20 0.33
PREP P48147 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
SCHEMBL20330222 0.83 TSHR (0.46) TSHRPEPDXPNPEP1CHRNB2CHRNA4
SCHEMBL20330221 0.76 TSHR (0.40) TSHRPEPDXPNPEP1CHRNB2CHRNA4
SCHEMBL10281126 0.75 PIN1 (0.47) PEPDXPNPEP1PIN1DPP4DPP8
SCHEMBL10281125 0.75 PIN1 (0.47) PEPDXPNPEP1PIN1DPP4DPP8
SCHEMBL25510762 0.73 DPP4 (0.41) DPP4DPP8DPP7
SCHEMBL3782725 0.72 MMP2 (0.65) PEPDXPNPEP1PIN1DPP4MMP2
SCHEMBL3785989 0.72 MMP2 (0.65) PEPDXPNPEP1PIN1DPP4MMP2
SCHEMBL3789843 0.72 MMP2 (0.65) PEPDXPNPEP1PIN1DPP4MMP2
SCHEMBL3780617 0.72 MMP2 (0.65) PEPDXPNPEP1PIN1DPP4MMP2
SCHEMBL25505409 0.70 TSHR (0.43) TSHRDPP4DPP8DPP7DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144051-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION 2023-05-11 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-20230144051-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS TSHR 4707/4885PEPD 3310/4885XPNPEP1 2388/4885

“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.