SCHEMBL3279738

SCHEMBL3279738

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
PPP1CA P62136 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR39 O43194 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
LATS1 O95835 2/20 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
SCHEMBL13385480 0.91 CCR1 (0.38) MAPK14MEN1KMT2ANPC1CCR1
SCHEMBL13385463 0.89 CCR1 (0.42) MAPK14MEN1KMT2ANPC1TRPM8
SCHEMBL13385473 0.89 IDO1 (0.37) MAPK14MEN1KMT2ANPC1CCR1
SCHEMBL3277906 0.84 MEN1 (0.45) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL13385471 0.84 IDH1 (0.39) MEN1KMT2ANPC1CCR1CCR5
SCHEMBL27654927 0.83 MAPK14 (0.45) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL3279741 0.82 NR4A2 (0.42) MAPK14NPC1CCR1CCR5CCR8
SCHEMBL3280715 0.79 CCR1 (0.51) MEN1KMT2ANPC1CCR1CCR5
SCHEMBL13385440 0.76 ACLY (0.35) MAPK14MEN1KMT2ASMN1; SMN2HTT
SCHEMBL13385479 0.76 CCR1 (0.39) MAPK14MEN1KMT2ANPC1RAB9A

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 10 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
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
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
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
EP-1761516-A1 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-03-14 EP disclosed
WO-2006000358-A1 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 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-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi CYP4X1, CYCS, CYP2S1 MAPK14 4299/4885MEN1 594/4885KMT2A 2279/4885

“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.