SCHEMBL25864700

SCHEMBL25864700

Cc1cc(C(=O)C2CCC[C@@]3(CCCCC34OCCO4)C2=O)nc(N2CCCN(C(=O)OC(C)(C)C)CC2C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.37
ABCB1 P08183 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
PIK3R1 P27986 5/20 0.32
PIK3CA P42336 5/20 0.32
USP30 Q70CQ3 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
SCHEMBL25859956 1.00 GPR119 (0.37) GPR119ABCB1KDM4EALDH1A1GLA
SCHEMBL25859957 0.91 GPR119 (0.35) GPR119ABCB1PIK3R1PIK3CA
SCHEMBL25650391 0.90 GPR119 (0.38) GPR119ABCB1PIK3R1PIK3CAUSP30
SCHEMBL25859958 0.88 ABCB1 (0.32) GPR119ABCB1PIK3R1PIK3CAUSP30
SCHEMBL25650412 0.87 GPR119 (0.38) GPR119ABCB1PIK3R1PIK3CAUSP30
SCHEMBL25650532 0.87 GPR119 (0.36) GPR119ABCB1PIK3R1PIK3CA
SCHEMBL25650266 0.87 GPR119 (0.36) GPR119ABCB1PIK3R1PIK3CA
SCHEMBL25650326 0.86 HSD11B1 (0.34) GPR119ABCB1SMARCA2SMARCA4PBRM1
SCHEMBL25622588 0.85 ABCB1 (0.32) GPR119ABCB1KDM4EALDH1A1GLA
SCHEMBL25650492 0.83 GPR119 (0.37) GPR119ABCB1SMARCA2SMARCA4PBRM1

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 GPR119 1460/4885ABCB1 127/4885KDM4E 2690/4885

“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.