SCHEMBL9949048

SCHEMBL9949048

COc1cccc(-c2nn(COCC[Si](C)(C)C)nc2CBr)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 3/20 0.37
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
XDH P47989 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 3/20 0.35
BRAF P15056 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPT P10636 2/20 0.35
NOTUM Q6P988 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL9949149 0.90 HSD17B10 (0.46) KMT2ALMNATSHRMAPK1HSD17B10
SCHEMBL9948523 0.84 ERBB2 (0.37) KMT2AMAPK1NPC1
SCHEMBL9949716 0.79 TSHR (0.43) KMT2ALMNATSHRMAPK1HSD17B10
SCHEMBL29930815 0.72 AXL (0.41) KMT2ALMNATSHRMAPK1HSD17B10
SCHEMBL4064922 0.71 BRD9 (0.46) TP53DYRK1ACLK4MAPT
SCHEMBL5512298 0.70 MAPT (0.41) KMT2ALMNATSHRMAPK1HSD17B10
SCHEMBL31469360 0.69 DGAT1 (0.36) KMT2ATSHRMAPK1HSD17B10HPGD
SCHEMBL23294247 0.68 ELANE (0.38) KMT2ATP53MAPTALDH1A1RECQL
SCHEMBL30718225 0.68 DGAT1 (0.39) KMT2ALMNATSHRMAPK1HSD17B10
SCHEMBL1624185 0.68 HDAC6 (0.38) KMT2ALMNATP53HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 KMT2A 1555/4885LMNA 1248/4885TSHR 778/4885

“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.