SCHEMBL8240206

SCHEMBL8240206

Clc1ccccc1-c1cn2c(Br)cnc2c(NCC(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.35
▸ CDK2 P24941 2/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ ADORA3 P0DMS8 3/20 0.34
▸ AURKA O14965 1/20 0.33
▸ CTSA P10619 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL8246672 0.91 RXFP1 (0.42) TTKCDK2GSK3BCTSARXFP1
SCHEMBL8250309 0.90 ALDH1A1 (0.34) TTKCDK2GSK3BAURKACTSA
SCHEMBL8247659 0.88 TTK (0.42) TTKGSK3BMAPK14
SCHEMBL8246267 0.83 MAPK8 (0.43) CDK2GSK3BADORA3CYP1A2CYP3A4
SCHEMBL8240675 0.83 LDHA (0.44) GSK3BMAPK14
SCHEMBL8246257 0.82 TSHR (0.40) TTKCDK2GSK3BADORA3AURKA
SCHEMBL8247772 0.81 TMIGD3 (0.40) CDK2GSK3BADORA3CYP1A2CYP3A4
SCHEMBL8250316 0.81 VCP (0.41) TTKCDK2GSK3BAURKACYP3A4
SCHEMBL8239965 0.81 ALDH1A1 (0.45) CYP1A2CYP3A4MAPK1CYP2C19CLK4
SCHEMBL8240199 0.80 LIMK1 (0.45) CDK2GSK3BCYP2C19MAPK14

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 TTK 127/4885CDK2 1/4885GSK3B 1442/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 TTK 106/4885CDK2 1/4885GSK3B 862/4885

“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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