SCHEMBL8240700

SCHEMBL8240700

CN(C)CCCNc1nc(-c2ccccc2Cl)cn2c(Br)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TOP2A P11388 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35

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
SCHEMBL8240199 0.94 LIMK1 (0.45) MAT2ALIMK1LIMK2MAPK14KDM4E
SCHEMBL8240235 0.90 FGFR1 (0.42) POLBTOP2AFGFR1NPC1SLC2A1
SCHEMBL8246700 0.86 FGFR1 (0.38) LIMK1LIMK2MAPK14TP53FGFR1
SCHEMBL8239965 0.86 ALDH1A1 (0.45) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL8247772 0.85 TMIGD3 (0.40) POLBTP53MAPK1
SCHEMBL8249929 0.84 KDM4E (0.42) L3MBTL1KDM4EPOLBTP53ALDH1A1
SCHEMBL8245585 0.84 GSK3B (0.36) FGFR1ALDH1A1SYK
SCHEMBL8246257 0.84 TSHR (0.40) LIMK1LIMK2MAPK14TP53
SCHEMBL8240681 0.83 TLR8 (0.38) L3MBTL1KDM4ETOP2AFGFR1ALDH1A1
SCHEMBL8240179 0.83 MAPK1 (0.43) LIMK1LIMK2MAPK14KDM4EKMT2A

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 MAT2A 2190/4885L3MBTL1 3674/4885LIMK1 1272/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 MAT2A 1920/4885L3MBTL1 3942/4885LIMK1 937/4885

“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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