SCHEMBL5956693

SCHEMBL5956693

Nc1nc(-c2ccnc(-c3ccc(N4CCOCC4)cc3)c2)c(-c2ccccn2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
CBFB Q13951 1/20 0.45
TGFBR1 P36897 6/20 0.45
JAK2 O60674 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CIT O14578 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45
RIPK2 O43353 1/20 0.45
BUB1 O43683 1/20 0.45
CCNT1 O60563 1/20 0.45
ROCK2 O75116 1/20 0.45

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
SCHEMBL6409107 0.92 AR (0.47) ARCBFBTGFBR1JAK2CYP1A1
SCHEMBL5956473 0.88 TGFBR1 (0.48) TGFBR1JAK2CDC7PLK4CIT
SCHEMBL5956486 0.82 TGFBR1 (0.57) TGFBR1JAK2CDC7PLK4CIT
SCHEMBL5956553 0.77 TGFBR1 (0.61) TGFBR1KDR
SCHEMBL5956435 0.76 TGFBR1 (0.48) TGFBR1JAK2EGFRFLT1JAK1
SCHEMBL5695773 0.75 CD274 (0.58) TGFBR1CYP1A2RIPK2PRKD3ACVR1B
SCHEMBL5956861 0.74 HPGD (0.51) TGFBR1CCNT1ABL1CDK1BCR
SCHEMBL28707194 0.74 CYP1A2 (0.57) ARCYP1A1CYP1A2CYP1B1MAPT
SCHEMBL6181678 0.73 TGFBR1 (0.48) ARCBFBTGFBR1JAK2CYP1A1
SCHEMBL6224276 0.73 AHR (0.44) CBFBTGFBR1JAK2CYP1A1CYP1A2

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-20060004051-A1 Compounds DODIC NERINA 2006-01-05 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-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 AR 363/4885CBFB 1767/4885TGFBR1 3/4885

“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.