SCHEMBL4896820

SCHEMBL4896820

FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.46
▸ CCR5 P51681 3/20 0.46
▸ CCR8 P51685 3/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ CBFB Q13951 2/20 0.43
▸ CYP1A2 P05177 3/20 0.41
▸ BLM P54132 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ METAP1 P53582 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ DOHH Q9BU89 1/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40

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
SCHEMBL4905177 0.77 ULK1 (0.47) NPC1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL5261472 0.77 TGFBR1 (0.39) NPC1KDM4EBLMADORA2AADORA1
SCHEMBL10853416 0.76 PIK3CD (0.40) KDM4E
SCHEMBL4026680 0.74 NOTUM (0.54) NPC1MAPK1SMN1; SMN2RAB9ACYP1A2
SCHEMBL15323277 0.74 SCN5A (0.49) CCR1CCR5CCR8NPC1MAPK1
SCHEMBL31555445 0.74 SCN5A (0.49) CCR1CCR5CCR8NPC1MAPK1
SCHEMBL4023458 0.73 NOTUM (0.52) NPC1MAPK1SMN1; SMN2RAB9ACYP1A2
SCHEMBL13878868 0.70 MAPK1 (0.52) CCR1CCR5CCR8NPC1MAPK1
SCHEMBL4577045 0.70 NPC1 (0.52) CCR1CCR5CCR8NPC1MAPK1
SCHEMBL30090584 0.70 NPC1 (0.52) CCR1CCR5CCR8NPC1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 — — US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 — — EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 — — 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 CCR1 4836/4885CCR5 4534/4885CCR8 4821/4885

“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.

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