SCHEMBL5956479

SCHEMBL5956479

Cc1cccc(C(=O)Cc2ccnc(-c3ccc(C(=O)NC4CCOCC4)cc3)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.57
KDR P35968 3/20 0.55
MAPK14 Q16539 1/20 0.49
ATR Q13535 2/20 0.43
CNR2 P34972 1/20 0.43
GABRA5 P31644 6/20 0.42
BRD4 O60885 1/20 0.42
GRM5 P41594 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ITGA5 P08648 2/20 0.40

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
SCHEMBL5907486 0.83 TGFBR1 (0.58) TGFBR1KDRMAPK14ATRGABRA5
SCHEMBL5956496 0.81 HPGD (0.50) TGFBR1
SCHEMBL24307575 0.81 TGFBR1 (0.55) TGFBR1KDRMAPK14ATRGABRA5
SCHEMBL5956662 0.80 LOXL2 (0.55) TGFBR1
SCHEMBL5790926 0.80 HDAC1 (0.46)
SCHEMBL5956629 0.79 TGFBR1 (0.47) TGFBR1
SCHEMBL5956493 0.78 HDAC1 (0.46) TGFBR1CNR2
SCHEMBL5956490 0.76 WNT3A (0.39) TGFBR1GRM5HDAC6
SCHEMBL5956509 0.75 IRAK4 (0.41) TGFBR1KDRMAPK14GRM5
SCHEMBL5956440 0.75 WNT3A (0.43) HDAC6

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 TGFBR1 3/4885KDR 227/4885MAPK14 297/4885

“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.