SCHEMBL2994027

SCHEMBL2994027

CCC(Nc1nc(N)nc(C(C)(C)F)n1)C1CCC1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
IDH1 O75874 2/20 0.32
IDH2 P48735 1/20 0.32
DHFR P00374 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL7078538 0.92 TSHR (0.33) TSHRIDH1IDH2DHFRHTR7
SCHEMBL7078535 0.92 TSHR (0.33) TSHRIDH1IDH2DHFRHTR7
SCHEMBL2994031 0.76 IDH1 (0.38) TSHRIDH1IDH2
SCHEMBL1552520 0.73 HTR7 (0.42) TSHRIDH1IDH2HTR7
SCHEMBL1552281 0.73 HTR7 (0.38) TSHRIDH1HTR7
SCHEMBL1551285 0.73 HTR7 (0.38) TSHRIDH1HTR7
SCHEMBL1551284 0.73 HTR7 (0.38) TSHRIDH1HTR7
SCHEMBL1551811 0.73 HTR7 (0.42) TSHRIDH1IDH2HTR7
SCHEMBL1551807 0.73 HTR7 (0.42) TSHRIDH1IDH2HTR7
SCHEMBL6726288 0.72 HTR7 (0.39) TSHRIDH1IDH2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776792-B2 Synergistic mixture of acetolactate synthase inhibitor and ester as herbicide BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
EP-1363490-B1 AGROCHEMICAL FORMULATIONS BAYER CROPSCIENCE AG (DE) 2008-08-13 EP disclosed
US-20040097378-A1 Agrochemical formulations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
EP-1363490-A1 AGROCHEMICAL FORMULATIONS Bayer CropScience GmbH (DE) 2003-11-26 EP disclosed
WO-2002067676-A1 AGROCHEMICAL FORMULATIONS BAYER CROPSCIENCE GMBH (DE) 2002-09-06 WO 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-20040097378-A1 Agrochemical formulations OTC, ABAT, SLC25A1 TSHR 4702/4885IDH1 177/4885IDH2 149/4885

“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.