SCHEMBL25859880

SCHEMBL25859880

CC(C)(C)OC(=O)N1CCCN(c2nc(C#N)cc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.49
RET P07949 5/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
KCNH2 Q12809 1/20 0.39
GBA1 P04062 2/20 0.37
JAK3 P52333 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL25620162 0.87 GPR119 (0.45) GPR119RETJAK3
SCHEMBL25864343 0.85 CKS1B (0.41) RETCKS1BSKP1SKP2GALR2
SCHEMBL24091519 0.82 GPR119 (0.47) GPR119RETKCNH2JAK3EGLN2
SCHEMBL22638913 0.78 GPR119 (0.59) GPR119RETJAK3EGLN2
SCHEMBL31518426 0.78 GPR119 (0.56) GPR119KCNH2GBA1EGLN2PIK3CA
SCHEMBL24091509 0.77 GPR119 (0.59) GPR119RETCKS1BSKP1SKP2
SCHEMBL24091582 0.76 GPR119 (0.46) GPR119RETJAK3
SCHEMBL30718207 0.75 GPR119 (0.53) GPR119KCNH2EGLN2PIK3CA
SCHEMBL27029527 0.75 GPR119 (0.53) GPR119KCNH2EGLN2PIK3CA
SCHEMBL9669980 0.74 GBA1 (0.56) GPR119CKS1BSKP1SKP2GBA1

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 GPR119 1460/4885RET 36/4885CKS1B 167/4885

“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.