SCHEMBL8246267

SCHEMBL8246267

Clc1ccccc1-c1cn2c(Br)cnc2c(NCCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.43
▸ CYP2D6 P10635 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ APP P05067 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TMIGD3 P0DMS9 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ G6PD P11413 1/20 0.37
▸ CCR6 P51684 1/20 0.37

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
SCHEMBL8247772 0.94 TMIGD3 (0.40) MAPK8CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL8250309 0.85 ALDH1A1 (0.34) CYP2D6CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL8246257 0.84 TSHR (0.40) TSHRMAPK14MAPTCDK2TP53
SCHEMBL8240199 0.84 LIMK1 (0.45) CYP2C19MAPK14CDK2TP53GSK3B
SCHEMBL8240206 0.83 TTK (0.35) CYP2D6CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL8247812 0.83 LMNA (0.35) MAPK14MAPTCDK2TP53GSK3B
SCHEMBL8240700 0.82 MAT2A (0.41) MAPK14MAPK1TP53KDM4ENPC1
SCHEMBL8246700 0.82 FGFR1 (0.38) MAPK14NSD2MAPTTP53GSK3B
SCHEMBL8239965 0.82 ALDH1A1 (0.45) CYP2C19CYP1A2CYP3A4ADORA2AADORA2B
SCHEMBL8239911 0.82 CDK2 (0.54) CYP2D6CYP2C19CYP1A2CYP3A4TSHR

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 MAPK8 542/4885CYP2D6 2147/4885CYP2C19 2378/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 MAPK8 390/4885CYP2D6 2332/4885CYP2C19 2106/4885

“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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