SCHEMBL4890075

SCHEMBL4890075

C/C(=N\c1ccccc1C(F)(F)F)c1cccc(/C(C)=N/c2c(C)cc(C)cc2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 1/20 0.45
PAK1 Q13153 1/20 0.45
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TRPA1 O75762 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4890079 1.00 RAC1 (0.45) RAC1PAK1NOS3NOS1NOS2
SCHEMBL14280781 0.89 GRIN2D (0.36) RAC1PAK1GRIN2DGRIN3BGRIN1
SCHEMBL2227367 0.87 NOS3 (0.47) RAC1PAK1NOS3NOS1NOS2
SCHEMBL2227370 0.87 NOS3 (0.47) RAC1PAK1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL14632786 0.84 NOS3 (0.44) RAC1PAK1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL14632785 0.84 NOS3 (0.47) RAC1PAK1NOS3NOS1NOS2
SCHEMBL6877976 0.84 PAX8 (0.32) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL5352634 0.84 PAX8 (0.32) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL453477 0.83 HSP90AA1 (0.36) NOS1NOS2GRIN2DGRIN3BGRIN1
SCHEMBL453478 0.83 HSP90AA1 (0.36) NOS1NOS2GRIN2DGRIN3BGRIN1

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-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed
US-20040087434-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA, S.A. (ES) 2004-05-06 US disclosed
EP-1325925-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA S.A. (ES) 2003-07-09 EP 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-20040087434-A1 Chromium catalysts active in olefin polymerization CBR1, SCO2, CBR3 RAC1 1955/4885PAK1 2536/4885NOS3 1543/4885

“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.