SCHEMBL9949149

SCHEMBL9949149

COc1cccc(-c2nn(COCC[Si](C)(C)C)nc2CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 3/20 0.40
FYN P06241 2/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 3/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.37
RIPK2 O43353 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL9949048 0.90 KMT2A (0.38) HSD17B10TSHRMAPK1RAB9AKMT2A
SCHEMBL9949716 0.82 TSHR (0.43) HSD17B10TSHRMAPK1RAB9AKMT2A
SCHEMBL9948523 0.73 ERBB2 (0.37) MAPK1KMT2ANPC1KDM4E
SCHEMBL4064922 0.71 BRD9 (0.46) FYNTP53MAPTDYRK1ACLK4
SCHEMBL5512298 0.71 MAPT (0.41) HSD17B10TSHRMAPK1RAB9AKMT2A
SCHEMBL29930815 0.70 AXL (0.41) HSD17B10TSHRMAPK1RAB9AKMT2A
SCHEMBL23294519 0.69 MAPT (0.39) HSD17B10MAPK1RAB9AFYNTP53
SCHEMBL23294247 0.69 ELANE (0.38) KMT2ATP53ALDH1A1MAPTRECQL
SCHEMBL30718225 0.68 DGAT1 (0.39) HSD17B10TSHRMAPK1RAB9AKMT2A
SCHEMBL1624185 0.68 HDAC6 (0.38) RAB9AKMT2ALMNATP53NPC1

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
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
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 HSD17B10 1178/4885TSHR 778/4885MAPK1 2602/4885

“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.