SCHEMBL1462848

SCHEMBL1462848

C[Si](C)(C)CN1C=CC=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
P2RX4 Q99571 4/20 0.32
P2RX1 P51575 3/20 0.32
P2RX3 P56373 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
P2RX7 Q99572 2/20 0.32
PTBP1 P26599 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
LMNA P02545 1/20 0.30
SCN4A P35499 1/20 0.30

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
SCHEMBL9030962 0.80 MAPT (0.38) TSHRMAPK1P2RX4P2RX1P2RX3
SCHEMBL20987115 0.75 MAPK1 (0.35) TSHRMAPK1P2RX4P2RX1P2RX3
SCHEMBL9030241 0.74 P2RX4 (0.37) MAPK1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL1989267 0.73 MEN1 (0.42) MAPK1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL11534924 0.72 KMT2A (0.41) TSHRMAPK1MEN1MAPTKMT2A
SCHEMBL1249047 0.72 P2RX4 (0.31) TSHRMAPK1P2RX4LMNASCN4A
SCHEMBL1133635 0.71 P2RX4 (0.41) TSHRMAPK1P2RX4P2RX1P2RX3
Hydrochloric Acid SCHEMBL3122652 0.70 P2RX4 (0.40) TSHRMAPK1P2RX4P2RX1P2RX3
Hydrochloric Acid SCHEMBL29383470 0.70 P2RX4 (0.40) TSHRMAPK1P2RX4P2RX1P2RX3
SCHEMBL1249107 0.70 MTNR1A (0.39) TSHRMAPK1P2RX4P2RX1P2RX3

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-9006231-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-04-14 US disclosed
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2014-06-19 US disclosed
US-8466142-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-18 US disclosed
US-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-03-24 US disclosed
EP-2260041-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF Sloan Kettering Institute For Cancer Research (US) 2010-12-15 EP disclosed
WO-2009148654-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-12-10 WO 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 (2 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-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP TSHR 2897/4885MAPK1 3566/4885P2RX4 145/4885
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP TSHR 2897/4885MAPK1 3566/4885P2RX4 145/4885

“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.