SCHEMBL5956473

SCHEMBL5956473

Cc1cccc(-c2sc(N)nc2-c2ccnc(-c3ccc(N4CCOCC4)cc3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.48
AURKA O14965 2/20 0.48
JAK2 O60674 2/20 0.48
CDK4 P11802 2/20 0.48
CDK2 P24941 2/20 0.48
AURKB Q96GD4 2/20 0.48
MAPK10 P53779 2/20 0.48
EGFR P00533 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
CIT O14578 1/20 0.48
CHEK1 O14757 1/20 0.48
GAK O14976 1/20 0.48
EPHB6 O15197 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
RIPK2 O43353 1/20 0.48
BUB1 O43683 1/20 0.48
CCNT1 O60563 1/20 0.48
ROCK2 O75116 1/20 0.48

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
SCHEMBL5956486 0.93 TGFBR1 (0.57) TGFBR1AURKAJAK2CDK4CDK2
SCHEMBL5956693 0.88 AR (0.47) TGFBR1AURKAJAK2CDK4CDK2
SCHEMBL5956435 0.87 TGFBR1 (0.48) TGFBR1JAK2EGFRFLT1JAK1
SCHEMBL5956861 0.86 HPGD (0.51) TGFBR1CDK2CCNT1ABL1CDK1
SCHEMBL6409107 0.82 AR (0.47) TGFBR1AURKAJAK2CDK4CDK2
SCHEMBL5956366 0.82 FKBP1A (0.47) TGFBR1MAPK14MAPTTP53ALOX15
SCHEMBL5956633 0.82 TGFBR1 (0.54) TGFBR1MAP4K4KDRMAPK14MAPT
SCHEMBL5956375 0.81 TGFBR1 (0.54) TGFBR1EGFRRIPK2KITKDR
SCHEMBL5956381 0.80 TGFBR1 (0.46) TGFBR1RIPK2KDRMAPK14KCNH2
SCHEMBL5956461 0.80 TGFBR1 (0.53) TGFBR1JAK2EGFRFLT1JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US claimed
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 TGFBR1 3/4885AURKA 165/4885JAK2 177/4885

“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.