Sugi Predict

Sugi Predict / Compounds / SCHEMBL2089065

SCHEMBL2089065

SCHEMBL2089065

CC(C)Oc1cc(NC(=NC#N)Oc2ccccc2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ HTT P42858 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ TP53 P04637 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ HTR1E P28566 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ P2RX3 P56373 2/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36

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
SCHEMBL2088172 1.00 MAPT (0.40) MAPTMEN1KMT2AHTTPOLB
SCHEMBL12782014 0.79 POLB (0.47) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2089781 0.79 POLB (0.47) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2088645 0.79 POLB (0.47) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2088170 0.77 KMT2A (0.54) MAPTMEN1KMT2AHTTPOLB
SCHEMBL2089062 0.77 KMT2A (0.54) MAPTMEN1KMT2AHTTPOLB
SCHEMBL2253462 0.74 RAB9A (0.44) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL14257623 0.74 RAB9A (0.44) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL2253468 0.74 RAB9A (0.44) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL14257490 0.74 KMT2A (0.37) MAPTMEN1KMT2APOLBNPSR1

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
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 — — EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 — — EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 — — US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 — — 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 (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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 MAPT 937/4885MEN1 1392/4885KMT2A 912/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 MAPT 937/4885MEN1 1392/4885KMT2A 912/4885

“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.