SCHEMBL1003236

SCHEMBL1003236

COc1ccc(CN(Cc2cn(-c3ccc(NCCO[Si](C)(C)C(C)(C)C)cc3)nc2-c2ccccc2)C(=O)c2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.40
CCNE1 P24864 4/20 0.40
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
AURKA O14965 4/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK1 P06493 2/20 0.34
CDK4 P11802 2/20 0.34
CDK7 P50613 2/20 0.34
CDK6 Q00534 2/20 0.34
CDK5 Q00535 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4A O75164 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
SCHEMBL1003348 0.90 CDK2 (0.44) CDK2CCNE1MAPTMAPK1AURKA
SCHEMBL1002768 0.87 RAB9A (0.34) CDK2CCNE1MAPTMAPK1RAB9A
SCHEMBL1001887 0.84 MAPK1 (0.41) CDK2CCNE1MAPTMAPK1RAB9A
SCHEMBL3511132 0.80 KMT2A (0.39) CDK2CCNE1MAPTMAPK1RAB9A
SCHEMBL3507730 0.80 F10 (0.45) MAPTKDM5B
SCHEMBL12311487 0.79 F10 (0.46) MAPTMAPK1RAB9ATSHRHSD17B10
SCHEMBL3507693 0.77 L3MBTL1 (0.40) MAPTMAPK1RAB9ANPC1TSHR
SCHEMBL3510539 0.75 F10 (0.45)
SCHEMBL3508891 0.74 F10 (0.45)
SCHEMBL1001613 0.73 GAA (0.39) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 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-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF F2, VKORC1, HMBS CDK2 398/4885CCNE1 503/4885MAPT 4841/4885

“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.