SCHEMBL13385459

SCHEMBL13385459

CC(C)(C)C1CCC(Nc2cc(-c3ccccn3)nc(Cl)c2-c2c(F)cccc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 6/20 0.36
MAPK14 Q16539 2/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
METAP1 P53582 1/20 0.34
TYK2 P29597 1/20 0.34
MERTK Q12866 3/20 0.33
AXL P30530 2/20 0.33
TYRO3 Q06418 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACLY P53396 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
PPP1CA P62136 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL13385478 0.88 GPR39 (0.46) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL13385458 0.87 GPR39 (0.37) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL13385457 0.86 CCNT1 (0.37) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL13385426 0.78 HTR1A (0.35) MAPK14TYK2ACLY
SCHEMBL13385471 0.78 IDH1 (0.39) GPR39CCR1CCR5CCR8SMN1; SMN2
SCHEMBL13385463 0.77 CCR1 (0.42) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL3280715 0.75 CCR1 (0.51) GPR39CCR1CCR5CCR8METAP1
SCHEMBL3279741 0.74 NR4A2 (0.42) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL3279738 0.74 MAPK14 (0.43) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL13385476 0.73 GPR39 (0.47) GPR39MAPK14CCR1CCR5CCR8

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-7695728-B2 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
US-7695728-B2 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
EP-1761516-B1 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AG (DE) 2007-11-28 EP disclosed
US-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi BASF AKIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
US-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi BASF AKIENGESELLSCHAFT (DE) 2007-11-08 US 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-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi CYP4X1, CYCS, CYP2S1 GPR39 4524/4885MAPK14 4299/4885CCR1 417/4885

“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.