SCHEMBL3277906

SCHEMBL3277906

CCC(C)Nc1nc(-c2ccccn2)cc(Cl)c1-c1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
MAPK14 Q16539 5/20 0.44
TRPM8 Q7Z2W7 3/20 0.43
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 3/20 0.36
PIK3CD O00329 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
LIMK1 P53667 1/20 0.34
LIMK2 P53671 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
SCHEMBL13385479 0.91 CCR1 (0.39) MEN1KMT2ANPC1RAB9AMAPK14
SCHEMBL13385481 0.89 CCR1 (0.43) MEN1KMT2ANPC1MAPK14TRPM8
SCHEMBL13385465 0.85 JAK2 (0.41) MEN1KMT2ANPC1MAPK14CCR1
SCHEMBL3279738 0.84 MAPK14 (0.43) MEN1KMT2ANPC1RAB9AMAPK14
SCHEMBL27654927 0.84 MAPK14 (0.45) MEN1KMT2ANPC1RAB9AMAPK14
SCHEMBL13385470 0.84 SOS1 (0.41) MEN1KMT2ACCR1CCR5CCR8
SCHEMBL3277910 0.81 TYRO3 (0.42) NPC1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL3280715 0.77 CCR1 (0.51) MEN1KMT2ANPC1CCR1CCR5
SCHEMBL13385476 0.76 GPR39 (0.47) KMT2ANPC1MAPK14TRPM8CCR1
SCHEMBL13385442 0.76 ACLY (0.36) MAPK14

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 12 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
CN-100586944-C 2,4,5,6-substituted pyrimidines, method for the production and use thereof for preventing epiphyte BASF AG 2010-02-03 CN 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
CN-1972922-A 2, 4, 5, 6-substituted pyrimidines, method for the production and use thereof for combating parasitic fungi BASF AG (DE) 2007-05-30 CN 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 MEN1 594/4885KMT2A 2279/4885NPC1 2408/4885

“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.