SCHEMBL2994031

SCHEMBL2994031

CCC(Nc1nc(N)nc(C(C)(C)F)n1)C1CCC1.c1cc2ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.38
IDH2 P48735 1/20 0.38
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MDM2 Q00987 2/20 0.30
TSHR P16473 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
SCHEMBL1552281 0.81 HTR7 (0.38) IDH1TSHR
SCHEMBL1551285 0.81 HTR7 (0.38) IDH1TSHR
SCHEMBL1551284 0.81 HTR7 (0.38) IDH1TSHR
SCHEMBL6726288 0.80 HTR7 (0.39) IDH1IDH2MDM2TSHR
SCHEMBL6730951 0.80 HTR7 (0.39) IDH1IDH2MDM2TSHR
SCHEMBL6733937 0.80 HTR7 (0.39) IDH1IDH2MDM2TSHR
SCHEMBL4004607 0.79 HTR7 (0.41)
SCHEMBL2994027 0.76 TSHR (0.32) IDH1IDH2TSHR
SCHEMBL7078535 0.76 TSHR (0.33) IDH1IDH2TSHR
SCHEMBL7078538 0.76 TSHR (0.33) IDH1IDH2TSHR

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 IDH1 177/4885IDH2 149/4885MEN1 3549/4885

“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.