SCHEMBL16496876

SCHEMBL16496876

NC(=O)Cc1ccccc1-c1cc(-c2ccc3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.41
▸ RIPK1 Q13546 14/20 0.39
▸ ACVRL1 P37023 2/20 0.39
▸ ICMT O60725 1/20 0.37

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
SCHEMBL16496878 0.90 RIPK1 (0.43) PIK3CDRIPK1ACVRL1
SCHEMBL5076719 0.84 ACVRL1 (0.42) PIK3CDRIPK1ACVRL1
SCHEMBL5077185 0.83 RIPK1 (0.46) RIPK1
SCHEMBL5077230 0.82 PIK3CD (0.47) PIK3CDRIPK1ACVRL1
SCHEMBL5074942 0.82 PIK3CD (0.51) PIK3CDRIPK1ACVRL1
SCHEMBL14312723 0.82 RIPK1 (0.46) PIK3CDRIPK1
SCHEMBL5076831 0.81 ACVRL1 (0.42) PIK3CDRIPK1ACVRL1
SCHEMBL5074925 0.81 PIK3CD (0.43) PIK3CDRIPK1ACVRL1
SCHEMBL5141007 0.81 RIPK1 (0.46) PIK3CDRIPK1
SCHEMBL14312843 0.81 RIPK1 (0.43) PIK3CDRIPK1ACVRL1

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-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 — — 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-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 PIK3CD 140/4885RIPK1 1367/4885ACVRL1 336/4885

“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