Sugi Predict

Sugi Predict / Compounds / SCHEMBL13385458

SCHEMBL13385458

SCHEMBL13385458

CC(C)(C)C1CCC(Nc2nc(-c3ccccn3)cc(Cl)c2-c2c(F)cccc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR39 O43194 5/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ CCR1 P32246 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CCR8 P51685 1/20 0.36
▸ MERTK Q12866 6/20 0.36
▸ TYRO3 Q06418 5/20 0.36
▸ AXL P30530 2/20 0.36
▸ TYK2 P29597 1/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ FLT3 P36888 2/20 0.34
▸ GAS6 Q14393 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PPP1CA P62136 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL13385476 0.87 GPR39 (0.47) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL13385459 0.87 GPR39 (0.36) GPR39MAPK14METAP1CCR1CCR5
SCHEMBL13385454 0.85 CCNT1 (0.38) GPR39MAPK14METAP1CCR1CCR5
SCHEMBL13385470 0.78 SOS1 (0.41) CCR1CCR5CCR8
SCHEMBL13385465 0.78 JAK2 (0.41) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL13385427 0.77 ADORA2A (0.36) MAPK14TYK2FLT3
SCHEMBL13385481 0.77 CCR1 (0.43) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL3277910 0.74 TYRO3 (0.42) GPR39CCR1CCR5CCR8MERTK
SCHEMBL3277906 0.74 MEN1 (0.45) GPR39MAPK14CCR1CCR5CCR8
SCHEMBL3280715 0.74 CCR1 (0.51) GPR39METAP1CCR1CCR5CCR8

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 4299/4885METAP1 2626/4885

“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.