SCHEMBL4104547

SCHEMBL4104547

Cc1ccc(C(=O)Nc2ccc(CN3CCN(CP(C)(C)=O)CC3)c(C(F)(F)F)c2)cc1C#C[Si](C)(C)C.Cc1ccc(C(=O)Nc2ccc(CN3CCN(CP(C)(C)=O)CC3)c(C(F)(F)F)c2)cc1I

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 8/20 0.69
▸ ABL1 P00519 11/20 0.61
▸ FGFR1 P11362 2/20 0.58
▸ KDR P35968 2/20 0.58
▸ CSF1R P07333 1/20 0.58

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
SCHEMBL4099939 0.95 KIT (0.67) KITABL1FGFR1KDRCSF1R
SCHEMBL4100085 0.91 KIT (0.81) KITABL1
SCHEMBL28054441 0.88 ABL1 (0.69) KITABL1
SCHEMBL4110676 0.88 KIT (0.78) KITABL1FGFR1KDRCSF1R
SCHEMBL4070204 0.87 KIT (0.75) KITABL1
SCHEMBL4095171 0.85 KIT (0.84) KITABL1FGFR1KDRCSF1R
SCHEMBL29493482 0.82 KIT (1.00) KITABL1CSF1R
SCHEMBL30080656 0.82 KIT (1.00) KITABL1CSF1R
SCHEMBL16236899 0.82 KIT (0.86) KIT
SCHEMBL588975 0.82 KIT (1.00) KITABL1CSF1R

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-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 — — 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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA KIT 3086/4885ABL1 1035/4885FGFR1 3332/4885

“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.

Send feedback