Sugi Predict

Sugi Predict / Compounds / SCHEMBL2854762

SCHEMBL2854762

SCHEMBL2854762

CCN=C(NC#N)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ IMPDH2 P12268 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ P2RX7 Q99572 6/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ ABCC9 O60706 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33

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
SCHEMBL2854760 1.00 KMT2A (0.55) KMT2AIMPDH2ALDH1A1P2RX7ATM
SCHEMBL3421930 0.84 KMT2A (0.49) KMT2AP2RX3
SCHEMBL3421929 0.84 KMT2A (0.49) KMT2AP2RX3
SCHEMBL3968978 0.83 KMT2A (0.54) KMT2AIMPDH2P2RX7CYP1A2GAA
SCHEMBL10656076 0.81 KMT2A (0.59) KMT2AIMPDH2ALDH1A1P2RX7ATM
SCHEMBL10656070 0.81 KMT2A (0.59) KMT2AIMPDH2ALDH1A1P2RX7ATM
SCHEMBL6232888 0.78 KMT2A (0.49) KMT2AIMPDH2P2RX7P2RX3
SCHEMBL3174308 0.77 KMT2A (0.55) KMT2AALDH1A1P2RX7ATMCYP1A2
SCHEMBL3174305 0.77 KMT2A (0.55) KMT2AALDH1A1P2RX7ATMCYP1A2
SCHEMBL3402743 0.77 KMT2A (0.80) KMT2AIMPDH2ALDH1A1GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 — — EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 — — US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 — — US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 — — US disclosed
EP-1507504-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-23 — — EP disclosed
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 — — US disclosed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 — — 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 (3 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 KMT2A 1396/4885IMPDH2 4226/4885ALDH1A1 4075/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KMT2A 1396/4885IMPDH2 4226/4885ALDH1A1 4075/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 KMT2A 1835/4885IMPDH2 3600/4885ALDH1A1 2859/4885

“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.