SCHEMBL13648375

SCHEMBL13648375

C#CCOc1nc(Nc2cccc(OCC(O)CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ CACNA1G O43497 5/20 0.40
▸ ABCB1 P08183 4/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ USP2 O75604 1/20 0.38

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
SCHEMBL14498894 0.93 KMT2A (0.42) MEN1KMT2ACYP2D6MAPTEGFR
SCHEMBL13648347 0.92 MEN1 (0.43) MEN1KMT2ACYP2D6MAPTCACNA1G
SCHEMBL13648685 0.88 SMN1; SMN2 (0.47) CYP2D6ABCB1EGFRBTK
SCHEMBL13648686 0.88 SMN1; SMN2 (0.47) CYP2D6ABCB1EGFRBTK
SCHEMBL13648687 0.88 KDM4E (0.44) EGFRBTK
SCHEMBL13648688 0.88 KDM4E (0.44) EGFRBTK
SCHEMBL13648386 0.86 L3MBTL1 (0.52) KMT2AABCB1USP2
SCHEMBL14498895 0.86 TSHR (0.44) CYP2D6MAPTCACNA1GABCB1
SCHEMBL13648363 0.84 KDM4E (0.55) MEN1KMT2AMAPTUSP2
SCHEMBL13648374 0.84 KDM4E (0.45) MEN1KMT2AMAPTEGFRUSP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — 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 (1 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 MEN1 3298/4885KMT2A 873/4885CYP2D6 716/4885

“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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