Sugi Predict

Sugi Predict / Compounds / SCHEMBL2893435

SCHEMBL2893435

SCHEMBL2893435

Cc1cc(C)n(-c2nc(Br)cnc2NC(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LCK P06239 1/20 0.35

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
SCHEMBL3656912 0.85 MAPT (0.43) TSHRMAPTKDM4EALDH1A1NPC1
SCHEMBL2885397 0.80 BCL6 (0.46) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL20839014 0.78 LCK (0.43) MAPKAPK2LCK
SCHEMBL19918407 0.76 MAPKAPK2 (0.40) MAPKAPK2LCK
SCHEMBL2885204 0.75 MAPKAPK2 (0.41) NPC1SMN1; SMN2RAB9AMAPKAPK2LCK
SCHEMBL26797587 0.73 MAPKAPK2 (0.39) NPC1SMN1; SMN2RAB9AMAPKAPK2LCK
SCHEMBL17635823 0.72 MAPKAPK2 (0.38) MAPKAPK2LCK
SCHEMBL26969974 0.72 MAPKAPK2 (0.39) NPC1KMT2ANPSR1RAB9AMAPKAPK2
SCHEMBL30708749 0.72 MAPKAPK2 (0.39) NPC1KMT2ANPSR1RAB9AMAPKAPK2
SCHEMBL2885806 0.72 MAPKAPK2 (0.41) NPSR1MAPKAPK2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — 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-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNQ5, KCNA5 TSHR 2520/4885MAPT 1432/4885KDM4E 960/4885

“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.