SCHEMBL2857716

SCHEMBL2857716

Cn1c(C(N)=O)nc2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PCSK9 Q8NBP7 2/20 0.42
▸ KCNMA1 Q12791 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TBXA2R P21731 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL15544534 0.83 KDM4E (0.46) NPC1MAPTKDM4EALDH1A1HPGD
SCHEMBL2159173 0.82 ALDH1A1 (0.40) NPC1RAB9AMAPTATMKDM4E
SCHEMBL2159170 0.82 ALDH1A1 (0.40) NPC1RAB9AMAPTATMKDM4E
SCHEMBL2855682 0.81 JAK2 (0.46) MAPTKDM4EHSD17B10KCNMA1MEN1
SCHEMBL30444890 0.77 KLK5 (0.57) NPC1RAB9AMAPTATMKDM4E
SCHEMBL2676424 0.77 KLK5 (0.57) NPC1RAB9AMAPTATMKDM4E
SCHEMBL19502279 0.77 RAB9A (0.45) NPC1RAB9AMAPTATMKDM4E
SCHEMBL6112679 0.77 KDM4E (0.53) NPC1RAB9AMAPTATMKDM4E
SCHEMBL15532179 0.77 KMT2A (0.52) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL2159176 0.76 NPC1 (0.41) NPC1RAB9AMAPTATMKDM4E

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 — — EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 — — EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 — — US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 — — US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 — — 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 NPC1 3322/4885RAB9A 3176/4885MAPT 3590/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 NPC1 3322/4885RAB9A 3176/4885MAPT 3590/4885

“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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