SCHEMBL5907486

SCHEMBL5907486

Cc1cccc(CC(=O)c2ccnc(-c3ccc(C(=O)NC4CCOCC4)cc3)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.58
KDR P35968 3/20 0.58
MAPK14 Q16539 1/20 0.49
ATR Q13535 2/20 0.44
GABRA5 P31644 3/20 0.43
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 3/20 0.41
MAPK1 P28482 1/20 0.41
ITGA5 P08648 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ABL1 P00519 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KDM1A O60341 1/20 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
SCHEMBL5956512 0.87 TGFBR1 (0.59) TGFBR1KDRMAPK14ATRGABRA5
SCHEMBL5956479 0.83 TGFBR1 (0.57) TGFBR1KDRMAPK14ATRGABRA5
SCHEMBL5956425 0.81 HPGD (0.52) TGFBR1ABL1
SCHEMBL5907452 0.81 HDAC1 (0.50) TGFBR1HDAC6ROCK2ROCK1KDM1A
SCHEMBL5907501 0.78 HDAC1 (0.47) TGFBR1KDM1A
SCHEMBL6231313 0.77 RAB9A (0.46)
SCHEMBL24307575 0.76 TGFBR1 (0.55) TGFBR1KDRMAPK14ATRGABRA5
SCHEMBL5907457 0.76 KDM1A (0.38) TGFBR1KDRMAPK14HDAC6ABL1
SCHEMBL5907494 0.76 FKBP1A (0.52)
SCHEMBL5907453 0.75 TGFBR1 (0.69) TGFBR1KDRMAPK14ATRGABRA5

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-20060058329-A1 Pyrazole inhibitors of the transforming growth factor SMITHKLINE BEECHAM CORPORATION 2006-03-16 US disclosed
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 (2 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-20060058329-A1 Pyrazole inhibitors of the transforming growth factor SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885KDR 228/4885MAPK14 148/4885
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.