SCHEMBL25859567

SCHEMBL25859567

CC(C)NC(=O)Cc1ccn(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.36
BLM P54132 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
LMNA P02545 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NLRP3 Q96P20 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL25862562 0.84 CCNE1 (0.47) VHLALDH1A1KDM4EMAPTGAA
SCHEMBL23794549 0.80 POLB (0.42) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL25514792 0.76 CCNE1 (0.41) VHLALDH1A1KDM4EMAPTGAA
SCHEMBL19531884 0.73 KDM5A (0.41) ALDH1A1KDM4EMAPTHTTNLRP3
SCHEMBL1064984 0.73 DYRK1A (0.39) MAPTPOLBLMNAHDAC6NLRP3
SCHEMBL25616925 0.70 DYRK1A (0.33) NLRP3
SCHEMBL9974274 0.69 DYRK1A (0.39) HDAC6
SCHEMBL29199445 0.69 VHL (0.45) VHLALDH1A1GAAHTTPOLB
SCHEMBL22338187 0.69 POLB (0.50) ALDH1A1MAPTPOLBCCNE1CDK2
SCHEMBL24777115 0.68 DYRK1A (0.39) KDM4EMAPTHDAC6MEN1KMT2A

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 VHL 8/4885ALDH1A1 1320/4885KDM4E 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.