SCHEMBL25864607

SCHEMBL25864607

Cc1cc(C(=O)O)nc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.53
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
GBA1 P04062 5/20 0.46
TTR P02766 2/20 0.45
ACHE P22303 1/20 0.44
PTPN11 Q06124 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL27700149 0.95 RBP4 (0.57) RBP4CKS1BSKP1SKP2MEN1
SCHEMBL16836632 0.91 MEN1 (0.53) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL25864436 0.89 RBP4 (0.56) RBP4CKS1BSKP1SKP2MEN1
SCHEMBL18087219 0.85 ALDH1A1 (0.57) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL30427482 0.84 RBP4 (0.60) RBP4MEN1KMT2AALDH1A1MAPT
SCHEMBL15921897 0.83 CKS1B (0.55) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL24851165 0.82 MEN1 (0.53) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL10412083 0.82 MEN1 (0.52) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL20042188 0.82 MAPT (0.54) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL30995286 0.81 SLC2A1 (0.46) RBP4CKS1BSKP1SKP2MAPT

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-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 RBP4 3238/4885CKS1B 167/4885SKP1 189/4885

“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.