SCHEMBL12475231

SCHEMBL12475231

CC(C)(CCCCn1cc(CC#N)c2ccccc21)[Si](C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ICMT O60725 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HTT P42858 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL2020146 0.77 MAPT (0.43) CDC25ATSHRUSP2ICMTPRMT5
SCHEMBL14542447 0.77 ICMT (0.64) CDC25AICMT
SCHEMBL4986908 0.72 SMN1; SMN2 (0.48) CDC25ATSHRUSP2ICMTPRMT5
SCHEMBL10244867 0.72 CYP19A1 (0.50) TSHRUSP2ICMTPRMT5MEN1
SCHEMBL28247078 0.71 PRMT5 (0.48) TSHRUSP2ICMTPRMT5MEN1
SCHEMBL5154476 0.70 CCNT1 (0.48) CDC25ATSHRUSP2ICMTCCNT1
SCHEMBL14544688 0.69 NR4A2 (0.47) TSHRKMT2AMAPTLMNASMN1; SMN2
SCHEMBL30958471 0.68 GPR84 (0.65) TSHRMEN1KMT2ALMNAKDM4E
SCHEMBL5645566 0.68 GPR84 (0.65) TSHRMEN1KMT2ALMNAKDM4E
SCHEMBL5334955 0.68 HRH3 (0.45) CDC25ATSHRUSP2ICMTPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 — — US disclosed
WO-2011082266-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS ARQULE, INC. (US) 2011-07-07 — — WO disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 — — 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-20110160237-A1 Substituted Heterocyclic Compounds MKI67, CCNC, NQO1 CDC25A 246/4885TSHR 4026/4885USP2 3841/4885

“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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