SCHEMBL8250316

SCHEMBL8250316

Clc1ccccc1-c1cn2c(Br)cnc2c(NCC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.41
▸ TTK P33981 2/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ KHK P50053 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ PRKCQ Q04759 3/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ IRAK1 P51617 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DCLK1 O15075 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ PIM1 P11309 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
SCHEMBL8240667 0.95 TTK (0.39) VCPTTKCNR1CNR2ALDH1A1
SCHEMBL8249926 0.85 ALDH1A1 (0.48) ALDH1A1LMNAABL1KDM4E
SCHEMBL8247838 0.83 ACHE (0.41) ALDH1A1LMNACYP3A4PIM1KDM4E
SCHEMBL8247298 0.82 ADORA3 (0.47) CNR1CNR2ALDH1A1GSK3BAURKA
SCHEMBL8247659 0.82 TTK (0.42) TTKALDH1A1LMNAGSK3BKDM4E
SCHEMBL8272030 0.81 HRH4 (0.38) ALDH1A1CYP3A4KDM4EUSP1WDR48
SCHEMBL8246267 0.81 MAPK8 (0.43) ALDH1A1LMNACYP3A4CYP2C9CDK2
SCHEMBL8240206 0.81 TTK (0.35) TTKCYP3A4CDK2CYP2D6GSK3B
SCHEMBL8240170 0.81 ADORA3 (0.46) CNR1CNR2ALDH1A1
SCHEMBL8240039 0.80 CDK2 (0.53) ALDH1A1CYP3A4CDK2CYP2D6GSK3B

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 VCP 2726/4885TTK 127/4885CNR1 1098/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 VCP 2004/4885TTK 106/4885CNR1 1240/4885

“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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