Sugi Predict

Sugi Predict / Compounds / SCHEMBL2087128

SCHEMBL2087128

SCHEMBL2087128

N#CN/C(=N/c1ccccc1)Oc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.80
▸ GAA P10253 1/20 0.39
▸ TMPRSS15 P98073 2/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ ACR P10323 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ USP2 O75604 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC22A3 O75751 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ NOS1 P29475 3/20 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
SCHEMBL2087129 1.00 KMT2A (0.80) KMT2AGAATMPRSS15PRSS1ACR
SCHEMBL3402743 1.00 KMT2A (0.80) KMT2AGAATMPRSS15PRSS1ACR
SCHEMBL5636135 0.89 KMT2A (0.74) KMT2AGAATMPRSS15PRSS1ACR
SCHEMBL5636133 0.89 KMT2A (0.74) KMT2AGAATMPRSS15PRSS1ACR
SCHEMBL9273042 0.89 KMT2A (0.70) KMT2AGAATMPRSS15PRSS1ACR
SCHEMBL9273040 0.89 KMT2A (0.70) KMT2AGAATMPRSS15PRSS1ACR
SCHEMBL4037230 0.88 KMT2A (0.72) KMT2AGAAPRSS1ACRMAPT
SCHEMBL30447238 0.85 KMT2A (0.61) KMT2AMAPTALDH1A1HTR3EHTR3B
SCHEMBL7261594 0.85 KMT2A (0.61) KMT2AMAPTALDH1A1HTR3EHTR3B
SCHEMBL7261598 0.85 KMT2A (0.61) KMT2AMAPTALDH1A1HTR3EHTR3B

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 KMT2A 912/4885GAA 1264/4885TMPRSS15 1891/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 KMT2A 912/4885GAA 1264/4885TMPRSS15 1891/4885

“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.