SCHEMBL4171647

SCHEMBL4171647

Cc1ccc(Oc2ccnc(Nc3ccc(S(=O)(=O)NCCN4CCN(C)CC4)cc3)c2)c(C)n1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.63
NAMPT P43490 1/20 0.43
CA12 O43570 1/20 0.42
ABL1 P00519 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SRC P12931 5/20 0.41
NMT1 P30419 1/20 0.40
PDGFRB P09619 1/20 0.40
GSK3A P49840 1/20 0.40
KMT2A Q03164 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
SCHEMBL4172692 0.93 TGFBR1 (0.63) TGFBR1SRCPDGFRB
SCHEMBL4175724 0.93 TGFBR1 (0.60) TGFBR1CA12ABL1CA2CA9
SCHEMBL4184161 0.92 TGFBR1 (0.61) TGFBR1CA12ABL1CA2CA9
SCHEMBL4175912 0.88 TGFBR1 (0.61) TGFBR1CA12ABL1CA2CA9
SCHEMBL4170271 0.85 TGFBR1 (0.71) TGFBR1
SCHEMBL3949452 0.85 TGFBR1 (0.63) TGFBR1NMT1
SCHEMBL4172670 0.84 TGFBR1 (0.69) TGFBR1
SCHEMBL3951081 0.84 TGFBR1 (0.62) TGFBR1CA12ABL1CA2CA9
SCHEMBL4177684 0.84 TGFBR1 (0.68) TGFBR1
SCHEMBL4174942 0.83 TGFBR1 (0.67) TGFBR1NAMPT

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885NAMPT 2571/4885CA12 590/4885

“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.