SCHEMBL3607114

SCHEMBL3607114

CC(=O)Nc1ccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.80

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
SCHEMBL373644 0.89 TGFBR1 (1.00) TGFBR1
SCHEMBL3599651 0.84 TGFBR1 (0.84) TGFBR1
SCHEMBL373196 0.83 TGFBR1 (0.78) TGFBR1
SCHEMBL373419 0.81 TGFBR1 (1.00) TGFBR1
SCHEMBL373721 0.80 TGFBR1 (0.78) TGFBR1
SCHEMBL416190 0.78 TGFBR1 (0.81) TGFBR1
SCHEMBL373205 0.78 TGFBR1 (1.00) TGFBR1
SCHEMBL3612020 0.76 TGFBR1 (0.71) TGFBR1
SCHEMBL373670 0.76 TGFBR1 (1.00) TGFBR1
SCHEMBL3600293 0.76 TGFBR1 (0.64) TGFBR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US claimed
EP-1971594-A2 SUBSTITUTED PYRAZALONES Biogen Idec MA Inc. (US) 2008-09-24 EP claimed
WO-2007059359-A2 SUBSTITUTED PYRAZALONES BIOGEN IDEC MA INC. (US) 2007-05-24 WO claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 TGFBR1 3/4885
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT TGFBR1 4641/4885

“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.