SCHEMBL25859551

SCHEMBL25859551

C=C(c1ccn(C(C)C)n1)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM5A P29375 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DYRK1A Q13627 1/20 0.31
GCK P35557 1/20 0.31
KCNH2 Q12809 1/20 0.31
NLRP3 Q96P20 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL20759134 0.71 DYRK1A (0.33) KDM5ADYRK1A
SCHEMBL12777938 0.69 KDM4C (0.58) MEN1HPGDKMT2AKDM5ANPC1
SCHEMBL10026473 0.68 MME (0.39) MEN1HPGDKMT2AKDM5ADYRK1A
SCHEMBL25332845 0.67 MEN1 (0.41) MEN1HPGDKMT2AKDM5ADYRK1A
SCHEMBL16131143 0.67 NPC1 (0.44) MEN1HPGDKMT2ANPC1RAB9A
SCHEMBL1431340 0.65 KMT2A (0.44) MEN1KMT2AKDM5ANPC1RAB9A
SCHEMBL16131138 0.64 LMNA (0.43) MEN1HPGDKMT2ANPC1RAB9A
SCHEMBL21756285 0.63 GSK3B (0.35) MEN1HPGDKMT2AKDM5ANPC1
SCHEMBL20509931 0.63
SCHEMBL10197118 0.63

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 MEN1 559/4885HPGD 3215/4885KMT2A 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.