Sugi Predict

Sugi Predict / Compounds / SCHEMBL2459986

SCHEMBL2459986

SCHEMBL2459986

OCc1cccc(C2=C3C=NC=C[N+]3(Cl)C(c3cccc(OCc4ccccc4)c3)=N2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDR P35968 1/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR4A2 P43354 2/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ MAOB P27338 4/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL2456978 0.93 MRGPRX4 (0.40) TSHRSMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL2461277 0.90 ALOX5 (0.40) CYP4F2CYP4A11NR1H2MRGPRX4BACE1
SCHEMBL2459704 0.89 TSHR (0.39) TSHRSMN1; SMN2KDRCYP4F2CYP4A11
SCHEMBL2458350 0.86 MRGPRX4 (0.38) TSHRSMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL2462309 0.85 MRGPRX4 (0.43) NR1H2NR4A2MRGPRX4CYSLTR1MAOB
SCHEMBL2463359 0.84 NR1H2 (0.39) CYP4F2CYP4A11NR1H2MRGPRX4BACE1
SCHEMBL2460371 0.83 NR1H2 (0.42) TSHRSMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL2465962 0.83 NR1H2 (0.42) SMN1; SMN2NR1H2NR4A2MRGPRX4MAOB
SCHEMBL2460621 0.82 NR1H2 (0.39) CYP4F2CYP4A11NR1H2NR4A2MRGPRX4
SCHEMBL2460381 0.82 MAOB (0.38) CYP4F2CYP4A11NR1H2NR4A2MRGPRX4

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 5 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
US-20060084654-A1 Imidazopyrazine tyrosine kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-04-20 — — 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 (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 TSHR 115/4885SMN1; SMN2 930/4885KDR 60/4885
US-20060084654-A1 Imidazopyrazine tyrosine kinase inhibitors IGF1R, IRS1, IGFBP1 TSHR 115/4885SMN1; SMN2 930/4885KDR 60/4885
US-20090181940-A1 Imidazopyrazine Tyrosine Kinase Inhibitors IGF1R, IRS1, IGFBP1 TSHR 115/4885SMN1; SMN2 930/4885KDR 60/4885

“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.