Sugi Predict

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SCHEMBL4243998

SCHEMBL4243998

Cc1cc(OC2CCN(Cc3ccccc3F)C(C)C2)c2cccc(F)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ KCNH2 Q12809 3/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ SCN1A P35498 2/20 0.35
▸ SCN8A Q9UQD0 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ADRA1A P35348 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
SCHEMBL8087262 0.90 HCRTR1 (0.42) JAK2JAK1TYK2JAK3PDE2A
SCHEMBL8095680 0.85 PDE4B (0.46) PDE2APDE4BKDM4EKCNH2SCN5A
SCHEMBL5526683 0.77 SCN1A (0.50) KDM4EKCNH2SCN5ASCN9ASCN1A
SCHEMBL8095861 0.77 KCNH2 (0.41) KDM4EKCNH2SCN5ASCN9ASCN1A
SCHEMBL8088026 0.76 HTR2C (0.40) PDE4BSCN1ASCN8AHTR2CHTR7
SCHEMBL8100325 0.76 JAK2 (0.39) JAK2JAK1TYK2JAK3PDE4B
SCHEMBL8104328 0.76 PDE2A (0.43) PDE2APDE4BSCN1ASCN8AALDH1A1
SCHEMBL8094095 0.76 GRIN1 (0.40) PDE4BKDM4EKCNH2SCN5ASCN9A
SCHEMBL13945426 0.75 MEN1 (0.43) PDE4BKDM4EHTTMEN1KMT2A
SCHEMBL8091662 0.75 HRH1 (0.47) KCNH2SCN1ASCN8AALDH1A1KMT2A

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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 — — US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 — — US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 — — US disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 — — WO disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 — — 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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS TRPV1, TRPV2, TRPA1 JAK2 3727/4885JAK1 4700/4885TYK2 4007/4885

“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.