SCHEMBL8240681

SCHEMBL8240681

CCCCOCCCNc1nc(-c2ccccc2Cl)cn2c(Br)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CCR4 P51679 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ BACE2 Q9Y5Z0 2/20 0.34
▸ CTSD P07339 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
SCHEMBL8249929 0.93 KDM4E (0.42) TLR8MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8239965 0.89 ALDH1A1 (0.45) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL8240179 0.87 MAPK1 (0.43) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL8240235 0.84 FGFR1 (0.42) MAPTNSD2TOP2AEGFRFGFR1
SCHEMBL8240700 0.83 MAT2A (0.41) KDM4EALDH1A1L3MBTL1MAPK1TOP2A
SCHEMBL8247772 0.82 TMIGD3 (0.40) MAPTLMNAMAPK1GSK3BCYP1A2
SCHEMBL8246700 0.82 FGFR1 (0.38) MAPTNSD2EGFRGSK3BFGFR1
SCHEMBL8245585 0.82 GSK3B (0.36) TLR8ALDH1A1LMNAGSK3BFGFR1
SCHEMBL8240199 0.81 LIMK1 (0.45) KDM4ETOP2AGSK3BCYP2C19
SCHEMBL8246257 0.81 TSHR (0.40) TLR8MAPTLMNAGSK3B

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 TLR8 4349/4885MAPT 3666/4885KDM4E 677/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 TLR8 4343/4885MAPT 3188/4885KDM4E 679/4885

“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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