SCHEMBL8250021

SCHEMBL8250021

Clc1ccccc1-c1cn2c(Br)cnc2c(NCCN2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.56
▸ CYP3A4 P08684 7/20 0.56
▸ CYP2D6 P10635 7/20 0.56
▸ CYP2C19 P33261 5/20 0.56
▸ HIF1A Q16665 5/20 0.56
▸ LMNA P02545 4/20 0.56
▸ TSHR P16473 3/20 0.56
▸ ALDH1A1 P00352 6/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ CLK4 Q9HAZ1 3/20 0.52
▸ FLT3 P36888 3/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ HPGD P15428 1/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ NSD2 O96028 1/20 0.44

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
SCHEMBL8240250 0.94 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL8250011 0.86 ACP1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL8246292 0.84 FGFR1 (0.44) —
SCHEMBL8246267 0.80 MAPK8 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL8245585 0.80 GSK3B (0.36) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL8240199 0.79 LIMK1 (0.45) CYP2C19
SCHEMBL8246257 0.79 TSHR (0.40) LMNATSHRAURKA
SCHEMBL8247772 0.79 TMIGD3 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL8250309 0.79 ALDH1A1 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19HIF1A
SCHEMBL8272030 0.78 HRH4 (0.38) CYP3A4ALDH1A1HSD17B10MAPK1HPGD

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-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — US disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — US disclosed
US-7432265-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-10-07 — — US disclosed
US-7432265-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-10-07 — — US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 — — US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 — — US disclosed
US-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2004-04-01 — — 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 (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-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 CYP1A2 1652/4885CYP3A4 2236/4885CYP2D6 2147/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 CYP1A2 1919/4885CYP3A4 2241/4885CYP2D6 2332/4885

“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.

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