SCHEMBL25864436

SCHEMBL25864436

COC(=O)c1cc(C)nc(N2CCCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.56
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
GBA1 P04062 4/20 0.45
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT5A Q9NQR1 1/20 0.43
ACHE P22303 1/20 0.42
SMPD3 Q9NY59 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL30427482 0.96 RBP4 (0.60) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL25864607 0.89 RBP4 (0.53) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL16836632 0.89 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27700149 0.84 RBP4 (0.57) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL18087219 0.83 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25864343 0.83 CKS1B (0.41) RBP4MEN1KMT2ACKS1BSKP1
SCHEMBL25620790 0.81 RBP4 (0.48) RBP4MEN1KMT2A
SCHEMBL15921897 0.81 CKS1B (0.55) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24851165 0.80 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1CKS1B
SCHEMBL10412083 0.80 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD

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 3238/4885MEN1 559/4885KMT2A 832/4885

“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.