SCHEMBL7077083

SCHEMBL7077083

N#Cc1cc(C#N)cc(Oc2cccc(Oc3cncc(Cl)n3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.45
GRM5 P41594 3/20 0.41
CYP19A1 P11511 3/20 0.40
MAP4K4 O95819 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
BRAF P15056 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL11380119 0.92 GRM5 (0.47) NTRK1GRM5CYP19A1MAP4K4CYP1A2
SCHEMBL11373674 0.83 NTRK1 (0.50) NTRK1GRM5CYP1A2CYP2C9CYP2C19
SCHEMBL6578539 0.81 GRM5 (0.52) GRM5CYP19A1MAP4K4F10JAK2
SCHEMBL7077215 0.81 GRM5 (0.40) GRM5CYP19A1MAP4K4F10LMNA
SCHEMBL11377412 0.80 CYP19A1 (0.47) NTRK1GRM5CYP19A1MAP4K4L3MBTL1
SCHEMBL7071680 0.80 GRM5 (0.40) GRM5CYP19A1MAP4K4L3MBTL1F10
SCHEMBL11379583 0.79 BRAF (0.51) NTRK1GRM5CYP1A2CYP2C9CYP2C19
SCHEMBL1122543 0.78 CYP1A2 (0.59) NTRK1GRM5CYP19A1MAP4K4CYP1A2
SCHEMBL7076280 0.78 MAP4K4 (0.41) GRM5CYP19A1MAP4K4L3MBTL1
SCHEMBL7072032 0.77 MEN1 (0.54) GRM5MAP4K4L3MBTL1F10PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 US disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 NTRK1 4528/4885GRM5 792/4885CYP19A1 302/4885

“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.