SCHEMBL25859999

SCHEMBL25859999

C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1nc(C(=N)C2CCC[C@@]3(CCCCC34OCCO4)C2=O)cc(N2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
RET P07949 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
SCHEMBL25859958 0.94 ABCB1 (0.32) ABCB1GPR119RET
SCHEMBL25859997 0.87 ABCB1 (0.31) ABCB1GPR119
SCHEMBL25622781 0.85 PIK3R1 (0.31) ABCB1GPR119RET
SCHEMBL25622674 0.84 ABCB1 (0.33) ABCB1GPR119RET
SCHEMBL25860001 0.83 GPR119 (0.31) GPR119
SCHEMBL25859956 0.81 GPR119 (0.37) ABCB1GPR119
SCHEMBL25864700 0.81 GPR119 (0.37) ABCB1GPR119
SCHEMBL25621191 0.81 GPR119 (0.37) ABCB1GPR119RET
SCHEMBL25620238 0.80 JAK3 (0.37) ABCB1GPR119RET
SCHEMBL25864346 0.80 JAK3 (0.37) ABCB1GPR119RET

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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 US disclosed
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 ABCB1 127/4885GPR119 1460/4885RET 36/4885

“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.