SCHEMBL6730951

SCHEMBL6730951

CC(C)(F)c1nc(N)nc(N[C@H](COc2ccccc2)C2CCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
IDH1 O75874 2/20 0.35
IDH2 P48735 1/20 0.35
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
MDM2 Q00987 1/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL6733937 1.00 HTR7 (0.39) HTR7ADRA1DADRA1AADRA1BIDH1
SCHEMBL6726288 1.00 HTR7 (0.39) HTR7ADRA1DADRA1AADRA1BIDH1
SCHEMBL1552281 0.82 HTR7 (0.38) HTR7ADRA1DADRA1AADRA1BIDH1
SCHEMBL1551285 0.82 HTR7 (0.38) HTR7ADRA1DADRA1AADRA1BIDH1
SCHEMBL1551284 0.82 HTR7 (0.38) HTR7ADRA1DADRA1AADRA1BIDH1
SCHEMBL2994031 0.80 IDH1 (0.38) IDH1IDH2MDM2TSHR
SCHEMBL6722591 0.78 HTR1A (0.35) HTR7SMN1; SMN2TSHRALDH1A1HTR1A
SCHEMBL1551807 0.76 HTR7 (0.42) HTR7IDH1IDH2TSHRCYP2D6
SCHEMBL1552520 0.76 HTR7 (0.42) HTR7IDH1IDH2TSHRCYP2D6
SCHEMBL1551811 0.76 HTR7 (0.42) HTR7IDH1IDH2TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034222-A1 2,4 diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators HOLLANDER JENS (DE) 2004-02-19 US disclosed
EP-1163229-A1 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-12-19 EP disclosed
WO-2000056722-A1 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-09-28 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-20040034222-A1 2,4 diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators SUB1, DDT, SAT1 HTR7 2139/4885ADRA1D 209/4885ADRA1A 740/4885

“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.