Sugi Predict

Sugi Predict / Compounds / SCHEMBL2456978

SCHEMBL2456978

SCHEMBL2456978

Cl[N+]12C=CN=CC1=C(c1ccccc1)N=C2c1cccc(OCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ NR4A2 P43354 2/20 0.38
▸ MAOB P27338 4/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 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
SCHEMBL2459986 0.93 TSHR (0.39) MRGPRX4NR1H2CYP4F2CYP4A11NR4A2
SCHEMBL2461277 0.92 ALOX5 (0.40) MRGPRX4NR1H2CYP4F2CYP4A11BACE1
SCHEMBL2458350 0.90 MRGPRX4 (0.38) MRGPRX4NR1H2CYP4F2CYP4A11NR4A2
SCHEMBL2465962 0.89 NR1H2 (0.42) MRGPRX4NR1H2NR4A2MAOBLMNA
SCHEMBL2463359 0.89 NR1H2 (0.39) MRGPRX4NR1H2CYP4F2CYP4A11BACE1
SCHEMBL2460371 0.88 NR1H2 (0.42) MRGPRX4NR1H2CYP4F2CYP4A11NR4A2
SCHEMBL2462309 0.87 MRGPRX4 (0.43) MRGPRX4NR1H2NR4A2MAOBLMNA
SCHEMBL2460621 0.87 NR1H2 (0.39) MRGPRX4NR1H2CYP4F2CYP4A11NR4A2
SCHEMBL2460381 0.87 MAOB (0.38) MRGPRX4NR1H2CYP4F2CYP4A11NR4A2
SCHEMBL2460398 0.86 MAOB (0.41) MRGPRX4NR1H2CYP4F2CYP4A11NR4A2

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-1675860-B1 IMIDAZO[1,5-A]PYRAZINES AS TYROSINE KINASE INHIBITORS OSI PHARM INC (US) 2011-09-21 — — EP disclosed
US-20090181940-A1 Imidazopyrazine Tyrosine Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-07-16 — — US disclosed
US-7459554-B2 Imidazopyrazine tyrosine kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2008-12-02 — — US disclosed
US-20080227788-A9 IMIDAZOPYRAZINE TYROSINE KINASE INHIBITORS BECK PATRICIA A 2008-09-18 — — US disclosed
EP-1675860-A2 IMIDAZO[1,5-A]PYRAZINE TYROSINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-07-05 — — EP disclosed
US-20060084654-A1 Imidazopyrazine tyrosine kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-04-20 — — US disclosed
WO-2005037836-A2 IMIDAZO ‘1, 5 - A ! PYRAZINE TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-04-28 — — 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-20080227788-A9 IMIDAZOPYRAZINE TYROSINE KINASE INHIBITORS IGF1R, IRS1, IGFBP1 MRGPRX4 1767/4885NR1H2 2603/4885CYP4F2 1114/4885
US-20060084654-A1 Imidazopyrazine tyrosine kinase inhibitors IGF1R, IRS1, IGFBP1 MRGPRX4 1767/4885NR1H2 2603/4885CYP4F2 1114/4885
US-20090181940-A1 Imidazopyrazine Tyrosine Kinase Inhibitors IGF1R, IRS1, IGFBP1 MRGPRX4 1767/4885NR1H2 2603/4885CYP4F2 1114/4885

“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.