SCHEMBL13385463

SCHEMBL13385463

CC(C)Nc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
MAPK14 Q16539 4/20 0.40
LIMK1 P53667 2/20 0.40
LIMK2 P53671 1/20 0.40
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
PPP1CA P62136 1/20 0.38
NR4A2 P43354 1/20 0.37
FFAR1 O14842 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GPR39 O43194 1/20 0.36
ACLY P53396 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
SCHEMBL3279738 0.89 MAPK14 (0.43) CCR1CCR5CCR8MAPK14LIMK1
SCHEMBL13385480 0.89 CCR1 (0.38) CCR1CCR5CCR8MAPK14LIMK1
SCHEMBL13385471 0.88 IDH1 (0.39) CCR1CCR5CCR8SMN1; SMN2L3MBTL1
SCHEMBL13385490 0.85 NR4A2 (0.43) CCR1CCR8NPC1NR4A2MEN1
SCHEMBL13385473 0.85 IDO1 (0.37) CCR1CCR5CCR8MAPK14CYP1A2
SCHEMBL13385481 0.83 CCR1 (0.43) CCR1CCR5CCR8MAPK14LIMK1
SCHEMBL3280715 0.82 CCR1 (0.51) CCR1CCR5CCR8CYP1A2SMN1; SMN2
SCHEMBL3277360 0.82 NR4A2 (0.35) MAPK14LIMK1LIMK2NR4A2MEN1
SCHEMBL13385493 0.82 CYP1A1 (0.36) CYP1A2NR4A2
SCHEMBL3279741 0.81 NR4A2 (0.42) CCR1CCR5CCR8MAPK14SMN1; SMN2

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 CCR1 417/4885CCR5 816/4885CCR8 2425/4885

“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.