SCHEMBL2855682

SCHEMBL2855682

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ KCNMA1 Q12791 1/20 0.44
▸ PKM P14618 2/20 0.43
▸ ACACB O00763 1/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PMP22 Q01453 1/20 0.41

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
SCHEMBL2364886 0.87 PKM (0.44) KCNMA1PKMACACBDYRK1ATP53
SCHEMBL17161508 0.83 CFTR (0.46) PKMACACBDYRK1ATP53GAA
SCHEMBL2857716 0.81 NPC1 (0.46) KCNMA1DYRK1AMAPTKDM4EMEN1
SCHEMBL15544534 0.79 KDM4E (0.46) JAK2JAK1TYK2JAK3MAPT
SCHEMBL2711203 0.77 PKM (0.49) KCNMA1PKMACACBTP53KDM4E
SCHEMBL2360807 0.77 CACNA1D (0.52) PKMTP53KDM4EMEN1KMT2A
SCHEMBL29497595 0.76 JAK2 (0.43) JAK2JAK1TYK2JAK3KCNMA1
SCHEMBL26625014 0.76 JAK2 (0.43) JAK2JAK1TYK2JAK3KCNMA1
SCHEMBL26726150 0.76 JAK2 (0.43) JAK2JAK1TYK2JAK3KCNMA1
SCHEMBL10238327 0.75 MEN1 (0.47) PKMACACBTP53KDM4EMEN1

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 JAK2 1925/4885JAK1 3303/4885TYK2 3342/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 JAK2 1925/4885JAK1 3303/4885TYK2 3342/4885

“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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